SCHEMBL10366239

SCHEMBL10366239

NC(=O)Cc1cn(C2CCCCC2N2CCCC2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 4/20 0.42
OPRM1 P35372 6/20 0.40
OPRK1 P41145 5/20 0.40
PLK1 P53350 2/20 0.40
FABP4 P15090 1/20 0.39
OPRL1 P41146 4/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
OPRD1 P41143 1/20 0.37

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
SCHEMBL11015329 0.85 GAA (0.45) SIGMAR1OPRM1OPRK1OPRL1GAA
SCHEMBL9385384 0.76 KDM4E (0.54) MEN1KMT2ASIGMAR1OPRM1OPRK1
SCHEMBL8353634 0.75 ICMT (0.43) ICMTMEN1KMT2APLK1FABP4
SCHEMBL4990643 0.73 HTR6 (0.58) SIGMAR1OPRM1OPRK1OPRL1GAA
SCHEMBL9493084 0.72 MEN1 (0.58) MEN1KMT2AOPRM1OPRK1PLK1
SCHEMBL10366800 0.70 OPRK1 (0.49) MEN1KMT2AOPRM1OPRK1GAA
SCHEMBL30958421 0.68 ICMT (0.62) ICMTMEN1KMT2AGAAKDM4E
SCHEMBL588980 0.68 ICMT (0.62) ICMTMEN1KMT2AGAAKDM4E
SCHEMBL24117805 0.68 PTGDR2 (0.53) MEN1KMT2AOPRM1OPRK1PLK1
SCHEMBL1991929 0.68 ICMT (0.57) ICMTPLK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0147085-B1 SUBSTITUTED TRANS-1.2-DIAMINOCYCLOHEXYL AMIDE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1990-03-14 EP disclosed