SCHEMBL9447476

SCHEMBL9447476

CCCCCC1CCC(c2ccc(C#N)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.38
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
GRM2 Q14416 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
AR P10275 3/20 0.33
PGR P06401 1/20 0.31

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
SCHEMBL9447473 1.00 OPRL1 (0.38) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447158 0.99 OPRL1 (0.38) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447211 0.99 OPRL1 (0.38) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447287 0.99 OPRL1 (0.38) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447218 0.99 OPRL1 (0.38) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447279 0.99 OPRL1 (0.38) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447217 0.99 OPRL1 (0.38) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447231 0.99 OPRL1 (0.38) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447163 0.99 OPRL1 (0.38) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447222 0.99 OPRL1 (0.38) OPRL1MAPTGAAGRM2MEN1

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
US-4923632-A LOW THRESHOLD-VOLTAGE AND TEMPERATURE DEPENDENCY; CYCLOHEXYL-AND FLUORO-SUBSTITUTED BENZENE CHISSO CORPORATION (JP) 1990-05-08 US claimed
JP-2004754-A None JP disclosed
US-5211878-A Difluorobenzonitrile derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-05-18 US disclosed
JP-H024754-A DIFLUOROBENZONITRILE DERIVATIVE MERCK PATENT GMBH 1990-01-09 JP disclosed