SCHEMBL4022758

SCHEMBL4022758

O=C(NC1CCN(c2nccc3cc(Cl)ccc23)CC1)c1ccccc1Br.O=C(NC1CCN(c2nccc3cc(Cl)ccc23)CC1)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.49
CNR2 P34972 1/20 0.49
CCNE1 P24864 5/20 0.49
CDK2 P24941 5/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PAK1 Q13153 2/20 0.44
CCR3 P51677 1/20 0.44
GRM5 P41594 1/20 0.42
DRD4 P21917 1/20 0.42
HMOX1 P09601 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4583304 0.95 CNR1 (0.53) CNR1CNR2CCNE1CDK2KMT2A
SCHEMBL4582680 0.95 MEN1 (0.49) CNR1CNR2CCNE1CDK2KMT2A
SCHEMBL4017530 0.88 CNR1 (0.46) CNR1CNR2CCNE1CDK2KMT2A
SCHEMBL4019718 0.86 CNR1 (0.47) CNR1CNR2CCNE1CDK2KMT2A
SCHEMBL4024310 0.85 MEN1 (0.62) CNR1CNR2KMT2AMEN1PAK1
SCHEMBL4025066 0.85 ALDH1A1 (0.51) CCNE1CDK2KMT2AMEN1SMN1; SMN2
SCHEMBL4023745 0.85 CNR1 (0.54) CNR1CNR2CCNE1CDK2KMT2A
SCHEMBL4018789 0.85 DRD2 (0.44) CNR1CNR2CCNE1CDK2KMT2A
SCHEMBL4023469 0.84 DRD2 (0.44) CNR1CNR2CCNE1CDK2KMT2A
SCHEMBL4020834 0.84 PAK1 (0.60) CNR1CNR2CCNE1CDK2KMT2A

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 2 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
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO claimed