SCHEMBL4584564

SCHEMBL4584564

O=C(NC1CCN(c2nccc3cc(Cl)ccc23)CC1)c1cc(Cl)cnc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.51
CRHR1 P34998 2/20 0.47
PAK1 Q13153 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42
OPRK1 P41145 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
DRD4 P21917 1/20 0.40

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
SCHEMBL4017656 0.88 MEN1 (0.51) PAK1MEN1KMT2ADRD2HTR2A
SCHEMBL4024310 0.85 MEN1 (0.62) PAK1MEN1KMT2ADRD2HTR2A
SCHEMBL4018789 0.84 DRD2 (0.44) PAK1MEN1KMT2ADRD2HTR2A
SCHEMBL4020867 0.84 CYP1A2 (0.55) MCHR1CRHR1PAK1CYP1A2
SCHEMBL4020834 0.83 PAK1 (0.60) PAK1MEN1KMT2ADRD2HTR2A
SCHEMBL4582680 0.83 MEN1 (0.49) PAK1MEN1KMT2ADRD2HTR2A
SCHEMBL4583304 0.83 CNR1 (0.53) PAK1MEN1KMT2AHMOX1CYP1A2
SCHEMBL4016096 0.83 MEN1 (0.49) MCHR1PAK1MEN1KMT2ADRD2
SCHEMBL4019718 0.83 CNR1 (0.47) PAK1MEN1KMT2ADRD2HTR2A
SCHEMBL4023469 0.83 DRD2 (0.44) MCHR1PAK1MEN1KMT2ADRD2

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-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-1903038-A1 N-(1-hetaryl-piperidin-4-yl)-(het)arylamide as EP2 receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP disclosed