SCHEMBL8973183

SCHEMBL8973183

C=CC[C@H]1CC[C@H](/C=C/[C@H]2CC[C@H](c3cc(F)c(C#N)c(F)c3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
TRPV4 Q9HBA0 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
SCHEMBL8973194 1.00 GRM2 (0.32) GRM2TRPV4
SCHEMBL8973188 1.00 GRM2 (0.32) GRM2TRPV4
SCHEMBL8973190 1.00 GRM2 (0.32) GRM2TRPV4
SCHEMBL8973199 1.00 GRM2 (0.32) GRM2TRPV4
SCHEMBL7737283 0.93 TRPV4 (0.36) GRM2TRPV4
SCHEMBL7737281 0.93 TRPV4 (0.36) GRM2TRPV4
SCHEMBL7728734 0.90 TRPV4 (0.33) GRM2TRPV4
SCHEMBL7728730 0.90 TRPV4 (0.33) GRM2TRPV4
SCHEMBL7728725 0.90 TRPV4 (0.33) GRM2TRPV4
SCHEMBL8972463 0.84 TRPV4 (0.33) GRM2TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588291-B1 2-Fluorobenzonitrile derivative CHISSO CORP (JP) 1996-03-27 EP claimed
US-5370822-A Liquid crystals CHISSO CORPORATION (JP) 1994-12-06 US claimed
EP-0588291-A1 2-Fluorobenzonitrile derivative Chisso Corporation (JP) 1994-03-23 EP claimed
EP-0588291-B1 2-Fluorobenzonitrile derivative CHISSO CORP (JP) 1996-03-27 EP disclosed
US-5370822-A Liquid crystals CHISSO CORPORATION (JP) 1994-12-06 US disclosed
EP-0588291-A1 2-Fluorobenzonitrile derivative Chisso Corporation (JP) 1994-03-23 EP disclosed