SCHEMBL4021683

SCHEMBL4021683

O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1c(F)cc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
PAK1 Q13153 8/20 0.48
SUV39H1 O43463 1/20 0.47
PRMT1 Q99873 1/20 0.47
SMYD3 Q9H7B4 1/20 0.47
CNR1 P21554 5/20 0.46
AKT1 P31749 1/20 0.44
CNR2 P34972 3/20 0.43
MAP3K5 Q99683 1/20 0.43
PDGFRB P09619 1/20 0.43
BTK Q06187 1/20 0.42

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
SCHEMBL4023489 0.89 CYP1A2 (0.56) CYP1A2CYP2D6PAK1SUV39H1PRMT1
SCHEMBL4016285 0.89 CNR1 (0.58) CYP1A2CYP2D6PAK1SUV39H1PRMT1
SCHEMBL4022779 0.87 CYP1A2 (0.54) CYP1A2CYP2D6PAK1SUV39H1PRMT1
SCHEMBL4017884 0.87 PAK1 (0.63) CYP1A2CYP2D6PAK1SUV39H1PRMT1
SCHEMBL4021868 0.87 CYP1A2 (0.58) CYP1A2CYP2D6PAK1SUV39H1PRMT1
SCHEMBL4019432 0.86 CNR1 (0.57) CYP1A2CYP2D6PAK1SUV39H1PRMT1
SCHEMBL4022769 0.86 CYP1A2 (0.55) CYP1A2CYP2D6PAK1SUV39H1PRMT1
SCHEMBL4023244 0.85 CNR1 (0.57) CYP1A2CYP2D6PAK1SUV39H1PRMT1
SCHEMBL4019280 0.85 CYP1A2 (0.54) CYP1A2CYP2D6PAK1SUV39H1PRMT1
SCHEMBL4583500 0.85 ALDH1A1 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1903038-A1 N-(1-hetaryl-piperidin-4-yl)-(het)arylamide as EP2 receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
EP-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 EP disclosed
EP-1903038-A1 N-(1-hetaryl-piperidin-4-yl)-(het)arylamide as EP2 receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP disclosed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed