SCHEMBL3821765

SCHEMBL3821765

CCCCn1cccc(C#N)c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL27397322 0.83 KDM4E (0.50) MEN1LMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL1129274 0.83 ADORA2B (0.35) GRM2MEN1LMNAHTTKMT2A
SCHEMBL15798746 0.79 KDM4E (0.36) GRM2MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL15799560 0.78 KDM4E (0.35) GRM2MEN1LMNAHTTKMT2A
SCHEMBL10462174 0.76 KDM4E (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL22824347 0.76 CNR2 (0.46) GRM2LMNAKMT2ACNR1CNR2
SCHEMBL7750534 0.76 ALDH1A1 (0.38) GRM2KMT2ACNR1CNR2ALDH1A1
SCHEMBL26750149 0.75 GRM2 (0.39) GRM2MEN1LMNAHTTKMT2A
SCHEMBL13448507 0.75 GRM2 (0.43) GRM2SMN1; SMN2ALDH1A1L3MBTL1HPGD
SCHEMBL1201357 0.75 ALDH1A1 (0.51) MEN1LMNAKMT2ASMN1; SMN2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1158845-A New N-alkyl-cyano pyridone synthesizing method CHEMICAL COLLEGE DALIAN SCIENC (CN) 1997-09-10 CN claimed
EP-2134701-A1 3-CYANO-4-(4-PHENYL-PIPERIDIN-1-YL)-PYRIDIN-2-ONE DERIVATIVES Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
EP-2134690-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2 -RECEPTOR MODULATORS Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
WO-2008107480-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2 -RECEPTOR MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2008-09-12 WO disclosed
WO-2008107479-A1 3-CYANO-4-(4-PHENYL-PIPERIDIN-1-YL)-PYRIDIN-2-ONE DERIVATIVES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2008-09-12 WO disclosed
CN-1158845-A New N-alkyl-cyano pyridone synthesizing method CHEMICAL COLLEGE DALIAN SCIENC (CN) 1997-09-10 CN disclosed