SCHEMBL153453

SCHEMBL153453

C#CCC(CC#N)N(CC)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.41
TSHR P16473 6/20 0.41
MAOA P21397 5/20 0.41
LMNA P02545 4/20 0.41
PYCR1 P32322 2/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
NPBWR1 P48145 1/20 0.40
KMT2A Q03164 1/20 0.40
MCHR1 Q99705 1/20 0.40
BCHE P06276 1/20 0.39
CYP1A2 P05177 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL153575 0.91 TSHR (0.44) MAOBTSHRMAOALMNAPYCR1
SCHEMBL27855214 0.86 ALDH1A1 (0.42) MAOBTSHRMAOALMNAPYCR1
SCHEMBL150754 0.82 MAOB (0.47) MAOBTSHRMAOALMNAPYCR1
SCHEMBL156140 0.81 TSHR (0.51) MAOBTSHRMAOALMNAPYCR1
SCHEMBL151512 0.80 BCHE (0.37) MAOBTSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL27837298 0.80 ALDH1A1 (0.44) MAOBTSHRMAOALMNAPYCR1
SCHEMBL148903 0.76 MAPT (0.36) MAOBTSHRMAOAALDH1A1NPSR1
SCHEMBL153059 0.73 ALDH1A1 (0.39) MAOBTSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL12126189 0.73 TSHR (0.48) TSHRLMNAALDH1A1NPSR1GAA
SCHEMBL147750 0.73 TSHR (0.57) MAOBTSHRMAOALMNAPYCR1

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 11 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-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