SCHEMBL9447231

SCHEMBL9447231

CCCCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(C#N)c(F)c3F)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.38
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
GRM2 Q14416 1/20 0.34
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
SCHEMBL9447218 1.00 OPRL1 (0.38) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447222 1.00 OPRL1 (0.38) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447184 0.99 OPRL1 (0.37) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447305 0.99 OPRL1 (0.37) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447172 0.99 OPRL1 (0.37) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447278 0.99 OPRL1 (0.37) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447272 0.99 OPRL1 (0.37) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447174 0.99 OPRL1 (0.37) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447269 0.99 OPRL1 (0.37) OPRL1MAPTGAAGRM2MEN1
SCHEMBL9447302 0.99 OPRL1 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5211878-A Difluorobenzonitrile derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-05-18 US disclosed