SCHEMBL8620845

SCHEMBL8620845

CCCC=Cc1ccc(C#Cc2cnc(OCC)nc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 9/20 0.39
▸ 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
▸ RELA Q04206 1/20 0.31
▸ MCHR1 Q99705 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
SCHEMBL8620839 1.00 ACACB (0.39) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8618078 0.88 ACACB (0.46) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8618082 0.88 ACACB (0.46) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8621987 0.71 ACACB (0.44) ACACB
SCHEMBL8621983 0.71 ACACB (0.44) ACACB
SCHEMBL8619692 0.69 FFAR1 (0.32) —
SCHEMBL8619694 0.69 FFAR1 (0.32) —
SCHEMBL8620816 0.69 ACACB (0.43) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8620820 0.69 ACACB (0.43) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8622908 0.69 FFAR1 (0.43) RELA

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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