SCHEMBL5194086

SCHEMBL5194086

COc1ccc(CN2CCN(C(=O)Nc3ccccc3)CC2CC(N)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.62
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
MAPT P10636 1/20 0.49
CDK1 P06493 1/20 0.48
IGF1R P08069 1/20 0.48
FGFR1 P11362 1/20 0.48
BRAF P15056 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR4 P22455 1/20 0.48
FGFR3 P22607 1/20 0.48
JAK1 P23458 1/20 0.48
CDK2 P24941 1/20 0.48
AXL P30530 1/20 0.48
CDK5 Q00535 1/20 0.48
PTK2B Q14289 1/20 0.48
RAB9A P51151 1/20 0.47
GRIN2B Q13224 1/20 0.47

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
SCHEMBL5193442 0.95 MAPT (0.55) FAAHMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5199484 0.91 MAPT (0.51) FAAHMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5191215 0.88 FAAH (0.60) FAAHSMN1; SMN2MAPTRAB9A
SCHEMBL5210351 0.87 FAAH (0.46) FAAHMEN1KMT2AMAPTRAB9A
SCHEMBL5208447 0.81 FAAH (0.64) FAAHSMN1; SMN2RAB9A
SCHEMBL5192480 0.81 SIGMAR1 (0.48) MEN1KMT2ASMN1; SMN2SIGMAR1MAPT
SCHEMBL5192582 0.80 FAAH (0.50) FAAHMEN1KMT2AMAPTRAB9A
SCHEMBL5190010 0.79 POLB (0.60) MEN1KMT2ASMN1; SMN2SIGMAR1
SCHEMBL3606934 0.78 FAAH (1.00) FAAHMAPT
SCHEMBL5195061 0.77 SIGMAR1 (0.49) MEN1KMT2ASMN1; SMN2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO claimed