SCHEMBL9477145

SCHEMBL9477145

N#Cc1ccc(-c2ccc(CC/C=C/F)cc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 18/20 0.48
CYP11B2 P19099 18/20 0.48
TRPV4 Q9HBA0 1/20 0.44
KCNJ1 P48048 1/20 0.41

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
SCHEMBL9477164 1.00 CYP11B1 (0.48) CYP11B1CYP11B2TRPV4KCNJ1
SCHEMBL9477810 0.92 CYP11B1 (0.46) CYP11B1CYP11B2TRPV4KCNJ1
SCHEMBL9477822 0.92 CYP11B1 (0.46) CYP11B1CYP11B2TRPV4KCNJ1
SCHEMBL9477652 0.90 CYP11B1 (0.45) CYP11B1CYP11B2TRPV4KCNJ1
SCHEMBL9477672 0.90 CYP11B1 (0.45) CYP11B1CYP11B2TRPV4KCNJ1
SCHEMBL9477265 0.89 CYP11B1 (0.44) CYP11B1CYP11B2TRPV4KCNJ1
SCHEMBL9477475 0.89 CYP11B1 (0.44) CYP11B1CYP11B2TRPV4KCNJ1
SCHEMBL9477489 0.89 CYP11B1 (0.44) CYP11B1CYP11B2TRPV4KCNJ1
SCHEMBL9477282 0.89 CYP11B1 (0.44) CYP11B1CYP11B2TRPV4KCNJ1
SCHEMBL9479404 0.85 CYP11B1 (0.50) CYP11B1CYP11B2TRPV4KCNJ1

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-0377469-B1 A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-10-06 EP disclosed
US-5183587-A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-02-02 US disclosed
EP-0377469-A1 A liquid crystalline compound CHISSO CORPORATION (JP) 1990-07-11 EP disclosed