SCHEMBL14618893

SCHEMBL14618893

O=C(c1ccc(O)c(O)c1)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
SIGMAR1 Q99720 3/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SLC18A3 Q16572 1/20 0.37
AXL P30530 2/20 0.36
MERTK Q12866 2/20 0.36
CYP2D6 P10635 1/20 0.36
CSNK1D P48730 1/20 0.36

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
SCHEMBL5578544 0.91 SIGMAR1 (0.47) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL5578473 0.90 OPRM1 (0.44) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL5578998 0.88 OPRM1 (0.44) OPRM1OPRK1OPRL1HDAC1HDAC6
SCHEMBL5579018 0.87 OPRM1 (0.43) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL5579306 0.87 HDAC1 (0.48) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL5579232 0.87 AXL (0.42) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL5578622 0.85 OPRM1 (0.43) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL5579089 0.85 TSHR (0.46) OPRM1OPRK1OPRL1
SCHEMBL5578717 0.85 OPRM1 (0.40) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL5578593 0.85 KDM2B (0.48) OPRM1OPRK1OPRL1DRD2HTR2A

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
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO disclosed