SCHEMBL148903

SCHEMBL148903

C#CCC(CC#N)N(CC)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NR1H2 P55055 4/20 0.32
NR1H3 Q13133 4/20 0.32
TSHR P16473 3/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
MAOB P27338 6/20 0.32
PBRM1 Q86U86 1/20 0.31
MAOA P21397 3/20 0.30
CYP1A2 P05177 2/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1A P35348 1/20 0.30
SNCA P37840 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL27837302 0.85 MAPT (0.38) MAPTTP53CRHBPCRHR2NPSR1
SCHEMBL151516 0.81 MAOB (0.36) TSHRALDH1A1MAOBPBRM1MAOA
SCHEMBL150390 0.80 PBRM1 (0.34) TSHRALDH1A1MAOBPBRM1MAOA
SCHEMBL151404 0.79 MAPT (0.37) MAPTTP53CRHBPCRHR2NPSR1
SCHEMBL151170 0.79 MAPT (0.36) MAPTTP53CRHBPCRHR2NPSR1
SCHEMBL153453 0.76 MAOB (0.41) CRHBPCRHR2NPSR1TSHRALDH1A1
SCHEMBL150754 0.72 MAOB (0.47) TSHRALDH1A1MAOBMAOACYP1A2
SCHEMBL154241 0.72 MAPT (0.38) MAPTTP53CRHBPCRHR2NPSR1
SCHEMBL27855233 0.71 PBRM1 (0.38) MAPTCRHBPCRHR2NPSR1TSHR
SCHEMBL153575 0.71 TSHR (0.44) NPSR1TSHRALDH1A1MAOBMAOA

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 12 patents. 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
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
US-20130085227-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2013-04-04 US disclosed
US-8344066-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2013-01-01 US disclosed
US-20120296041-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2012-11-22 US 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