SCHEMBL11044409

SCHEMBL11044409

COc1ccc(C2(C(=O)N(C)C)CCC3(CC2)OCCO3)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.50
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
F10 P00742 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
EP300 Q09472 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39

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
SCHEMBL11046488 0.85 POLB (0.53) POLBKMT2AALDH1A1MEN1CYP3A4
SCHEMBL11046813 0.83 POLB (0.56) POLBKMT2AALDH1A1MEN1CYP3A4
SCHEMBL11047671 0.79 F10 (0.48) POLBKMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL3411721 0.77 OPRM1 (0.66) POLBKMT2AALDH1A1MEN1F10
SCHEMBL613806 0.75 POLB (0.51) POLBKMT2AALDH1A1MEN1CYP3A4
SCHEMBL12170296 0.74 ALDH1A1 (0.52) POLBKMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL11988867 0.71 POLB (0.62) POLBKMT2AALDH1A1MEN1CYP3A4
SCHEMBL16802088 0.71 HSD11B1 (0.56) KMT2AMEN1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL301027 0.71 KMT2A (0.64) POLBKMT2AALDH1A1MEN1CYP3A4
SCHEMBL31525688 0.71 ALDH1A1 (0.60) POLBKMT2AALDH1A1MEN1CYP3A4

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