SCHEMBL8645459

SCHEMBL8645459

N#Cc1ccc(C#Cc2ccc(Br)cc2F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.45
TRPV4 Q9HBA0 2/20 0.44
CYP11B1 P15538 10/20 0.44
CYP11B2 P19099 10/20 0.44
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
GRM5 P41594 2/20 0.35
HAO1 Q9UJM8 1/20 0.34
NR3C2 P08235 1/20 0.34

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
SCHEMBL9050378 0.88 ACACB (0.49) ACACBTRPV4CYP11B1CYP11B2MAOA
SCHEMBL56634 0.86 TRPV4 (0.57) TRPV4CYP11B1CYP11B2MAOAMAOB
SCHEMBL9612005 0.84 TRPV4 (0.55) TRPV4CYP11B1CYP11B2
SCHEMBL27214759 0.82 ACACB (0.46) ACACBTRPV4CYP11B1CYP11B2FFAR1
SCHEMBL22109247 0.78 ACACB (0.49) ACACBFFAR1FFAR4GRM5NR3C2
SCHEMBL5139851 0.77 FFAR1 (0.51) ACACBFFAR1FFAR4GRM5HAO1
SCHEMBL22225479 0.77 TRPV4 (0.48) TRPV4CYP11B1CYP11B2FFAR1FFAR4
SCHEMBL6864959 0.76 TRPV4 (0.47) TRPV4CYP11B1CYP11B2FFAR1FFAR4
SCHEMBL9293782 0.76 CYP11B1 (0.50) TRPV4CYP11B1CYP11B2FFAR1FFAR4
SCHEMBL1797379 0.76 TRPV4 (0.59) TRPV4CYP11B1CYP11B2

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-0648723-B1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-05-20 EP disclosed
US-5658489-A EXCELLENT ANISOTROPY OF REFRACTIVE INDEX; LOW VISCOSITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 US disclosed
EP-0648723-A1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 EP disclosed