SCHEMBL8972463

SCHEMBL8972463

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 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL8972454 1.00 TRPV4 (0.33) TRPV4GRM2
SCHEMBL8972430 1.00 TRPV4 (0.33) TRPV4GRM2
SCHEMBL8972425 1.00 TRPV4 (0.33) TRPV4GRM2
SCHEMBL8972443 1.00 TRPV4 (0.33) TRPV4GRM2
SCHEMBL10893371 0.92 TRPV4 (0.39) TRPV4GRM2
SCHEMBL10893376 0.92 TRPV4 (0.39) TRPV4GRM2
SCHEMBL8973395 0.90 CYP2C9 (0.36) TRPV4GRM2
SCHEMBL8973033 0.90 CYP2C9 (0.36) TRPV4GRM2
SCHEMBL8973042 0.90 CYP2C9 (0.36) TRPV4GRM2
SCHEMBL8973038 0.90 CYP2C9 (0.36) TRPV4GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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