SCHEMBL4020867

SCHEMBL4020867

O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1cc(Cl)cnc1Cl

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
PAK1 Q13153 9/20 0.51
MCHR1 Q99705 3/20 0.49
SUV39H1 O43463 1/20 0.47
PRMT1 Q99873 1/20 0.47
SMYD3 Q9H7B4 1/20 0.47
MAP3K5 Q99683 2/20 0.43
MAP3K6 O95382 1/20 0.43
CRHR1 P34998 1/20 0.43
PDGFRB P09619 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 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
SCHEMBL4018418 0.90 CYP1A2 (0.46) CYP1A2CYP2D6PAK1MCHR1SUV39H1
SCHEMBL4018965 0.87 CYP1A2 (0.54) CYP1A2CYP2D6PAK1SUV39H1PRMT1
SCHEMBL4024856 0.85 PAK1 (0.67) CYP1A2CYP2D6PAK1SUV39H1PRMT1
SCHEMBL4018931 0.85 ALDH1A1 (0.60) MCHR1
SCHEMBL4584564 0.84 MCHR1 (0.51) CYP1A2PAK1MCHR1CRHR1
SCHEMBL4022769 0.84 CYP1A2 (0.55) CYP1A2CYP2D6PAK1SUV39H1PRMT1
SCHEMBL4024034 0.83 PAK1 (0.55) CYP1A2CYP2D6PAK1SUV39H1PRMT1
SCHEMBL4017800 0.83 PAK1 (0.55) CYP1A2CYP2D6PAK1SUV39H1PRMT1
SCHEMBL4024568 0.83 PAK1 (0.68) CYP1A2CYP2D6PAK1SUV39H1PRMT1
SCHEMBL4019280 0.83 CYP1A2 (0.54) CYP1A2CYP2D6PAK1SUV39H1PRMT1

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-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 EP claimed
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
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO claimed
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