SCHEMBL154454

SCHEMBL154454

N#CCN(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.38
KCNA3 P22001 1/20 0.36
TSHR P16473 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.35
KCNH2 Q12809 2/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
POLQ O75417 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3432310 0.83 MAPT (0.34) CRHBPCRHR2MAPTNPSR1MAOB
SCHEMBL27837329 0.83 USP2 (0.41) CRHBPCRHR2MAPTNPSR1MAOB
SCHEMBL9335759 0.80 MAOB (0.41) CRHBPCRHR2MAPTNPSR1MAOB
SCHEMBL9731530 0.79 KCNH2 (0.38) CRHBPCRHR2MAPTNPSR1ALDH1A1
SCHEMBL24708884 0.79 MTNR1B (0.53) MAOBMTNR1AMTNR1B
SCHEMBL9848430 0.79 CYP2D6 (0.46) CRHBPCRHR2MAPTNPSR1ALDH1A1
SCHEMBL17962525 0.76 MAOB (0.39) CRHBPCRHR2MAPTNPSR1MAOB
SCHEMBL198720 0.76 MAOB (0.39) CRHBPCRHR2MAPTNPSR1MAOB
SCHEMBL151399 0.76 USP2 (0.49) CRHBPCRHR2MAPTNPSR1ALDH1A1
SCHEMBL304704 0.76 MAOB (0.47) CRHBPCRHR2MAPTNPSR1MAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526149-B1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORP (JP) 2017-03-01 EP disclosed
US-9469710-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2016-10-18 US disclosed
CN-103333275-B With the polymkeric substance of functionalized with nitrile compounds comprising protected amino BRIDGESTONE CO., LTD. (JP) 2015-07-29 CN disclosed
CN-103025816-B Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2015-07-22 CN disclosed
US-20150148489-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2015-05-28 US disclosed
US-8735494-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2014-05-27 US disclosed
CN-103333275-A Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2013-10-02 CN disclosed
CN-102361887-B Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2013-06-26 CN disclosed
US-20130085227-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2013-04-04 US disclosed
CN-103025816-A Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2013-04-03 CN disclosed
US-20120059112-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS COMTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2012-03-08 US disclosed
EP-2382240-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP Bridgestone Corporation (JP) 2011-11-02 EP disclosed
WO-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 WO disclosed
WO-2010085622-A9 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-12-23 WO disclosed
WO-2010085622-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-07-29 WO disclosed
CN-100358633-C Perfluoroalkyl group sulfonic acid and sulfonate carried by macromolecule and its preparation method and application SHANGHAI INST ORGANIC CHEM (CN) 2008-01-02 CN disclosed
CN-1605391-A Perfluoroalkyl group sulfonic acid and sulfonate carried by macromolecule and its preparation method and application SHANGHAI INST ORGANIC CHEM (CN) 2005-04-13 CN disclosed
US-6486340-B2 Method for producing an α-aminonitrile from a tertiary anime and a cyanide through oxidation with oxygen by using a transition metal catalyst OSAKA UNIVERSITY (JP) 2002-11-26 US disclosed
US-20020042534-A1 Method for producing an alpha-aminonitrile from a tertiary anime and a cyanide through oxidation with oxygen by using a transition metal catalyst OSAKA UNIVERSITY (JP) 2002-04-11 US disclosed
EP-0432442-A1 ACAT inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-19 EP disclosed