SCHEMBL8620816

SCHEMBL8620816

CCC/C=C/c1cnc(C#Cc2ccc(OCC)nc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 12/20 0.43
▸ MAPT P10636 1/20 0.35
▸ GRM5 P41594 2/20 0.33
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ CYP19A1 P11511 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
SCHEMBL8620820 1.00 ACACB (0.43) ACACBMAPTGRM5CHRNB2CHRNB4
SCHEMBL8621684 0.79 CYP2A6 (0.35) ACACBGRM5MCHR1
SCHEMBL8621680 0.79 CYP2A6 (0.35) ACACBGRM5MCHR1
SCHEMBL8619164 0.77 ACACB (0.36) ACACBMCHR1
SCHEMBL8619168 0.77 ACACB (0.36) ACACBMCHR1
SCHEMBL8618082 0.75 ACACB (0.46) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8618078 0.75 ACACB (0.46) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8619091 0.72 ACACB (0.42) ACACB
SCHEMBL8619095 0.72 ACACB (0.42) ACACB
SCHEMBL8619694 0.72 FFAR1 (0.32) MAPTGRM5

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
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