SCHEMBL11047671

SCHEMBL11047671

COc1ccc(C2(C(=O)N(C)C)CCC(=O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.48
EP300 Q09472 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
KCNA3 P22001 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TET3 O43151 1/20 0.41
KMT2A Q03164 1/20 0.41
FBXL19 Q6PCT2 1/20 0.41
CXXC5 Q7LFL8 1/20 0.41
TET1 Q8NFU7 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
CXXC4 Q9H2H0 1/20 0.41
KDM2A Q9Y2K7 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
SCHEMBL8179850 0.83 F10 (0.47) F10KCNA3CYP3A4CYP2C19POLB
SCHEMBL11096445 0.83 KMT2A (0.57) KCNA3CYP3A4CYP2C19OPRM1OPRL1
SCHEMBL16287573 0.82 KCNA3 (0.48) F10KCNA3CYP3A4CYP2C19POLB
SCHEMBL24203744 0.81 SMN1; SMN2 (0.56) EP300NCOA1NCOA3KCNA3OPRM1
SCHEMBL11044409 0.79 POLB (0.50) F10EP300NCOA1NCOA3CYP3A4
SCHEMBL31001015 0.78 KMT2A (0.52) KCNA3CYP3A4CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL3404808 0.76 OPRM1 (0.65) F10KCNA3OPRM1OPRL1POLB
SCHEMBL613812 0.74 OPRM1 (0.50) KCNA3OPRM1OPRL1POLBALDH1A1
SCHEMBL11823191 0.72 KCNA3 (0.44) KCNA3CYP3A4CYP2C19OPRM1OPRL1
SCHEMBL612898 0.71 MAOB (0.43) F10KCNA3OPRM1OPRL1POLB

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-0035902-B1 1-(4-ARYL-CYCLOHEXYL)PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-10-31 EP disclosed
US-4329353-A ANTIEMETIC AND NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-05-11 US disclosed
EP-0035902-A1 1-(4-Aryl-cyclohexyl)piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-09-16 EP disclosed