SCHEMBL5780939

SCHEMBL5780939

O=C(C1CCC1)N1CC2(CCNCC2)c2ccccc2[C@H]1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.45
OPRK1 P41145 6/20 0.35
OPRM1 P35372 3/20 0.35

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
SCHEMBL5599702 0.79 HSD11B1 (0.35) OPRM1
SCHEMBL5578683 0.67 HDAC1 (0.52)
SCHEMBL5599822 0.67 NOTUM (0.52)
SCHEMBL5578876 0.66 SIGMAR1 (0.44)
SCHEMBL5599346 0.65 KMT2A (0.37) OPRD1OPRK1OPRM1
SCHEMBL4116754 0.63 ACE (0.35)
SCHEMBL5599390 0.63 KDM2B (0.42)
SCHEMBL5599280 0.63 KCNA3 (0.34)
SCHEMBL3994423 0.63 DPP9 (0.35) OPRM1
SCHEMBL6950655 0.62 OPRD1 (1.00) OPRD1OPRK1

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-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 WO claimed