SCHEMBL8962865

SCHEMBL8962865

C=CCCC[C@H]1CC[C@H](c2cnc([C@H]3CC[C@H](/C=C/Cl)CC3)nc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.32

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
SCHEMBL8962860 1.00 OPRL1 (0.32) OPRL1
SCHEMBL8963249 0.92 OPRL1 (0.33) OPRL1
SCHEMBL8963240 0.92 OPRL1 (0.33) OPRL1
SCHEMBL8963402 0.85 MEN1 (0.37) OPRL1
SCHEMBL9301225 0.84 MAPT (0.37) OPRL1
SCHEMBL9300950 0.82 HDAC4 (0.31)
SCHEMBL9300956 0.82 HDAC4 (0.31)
SCHEMBL9299840 0.82 CYP2C9 (0.39) OPRL1
SCHEMBL8962720 0.80 OPRL1 (0.32) OPRL1
SCHEMBL9300714 0.79 OPRL1 (0.31) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559860-B1 HALOVINYL-DERIVATIVES HOFFMANN LA ROCHE (CH) 1996-02-14 EP disclosed
US-5364556-A Halovinyl-derivatives HOFFMANN-LA ROCHE INC. (US) 1994-11-15 US disclosed
EP-0559860-A1 HALOVINYL-DERIVATIVES. HOFFMANN LA ROCHE (CH) 1993-09-15 EP disclosed
WO-1993007234-A1 HALOVINYL-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-15 WO disclosed