SCHEMBL9190073

SCHEMBL9190073

CC(=O)N(O)C(C)c1ccc(C#Cc2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
PTGES O14684 3/20 0.44
AKR1C3 P42330 2/20 0.43
GRM5 P41594 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
ACACB O00763 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
SCHEMBL9195413 0.84 FFAR1 (0.54) FFAR1
SCHEMBL9195927 0.80 ACACB (0.49) FFAR1ACACB
SCHEMBL9299537 0.76 ALOX5 (0.45) FFAR1
SCHEMBL9192595 0.75 ACACB (0.42) FFAR1PTGESACACB
SCHEMBL9192422 0.75 FFAR1 (0.58) FFAR1PTGESAKR1C3GRM5CHRNB2
SCHEMBL9195264 0.74 FFAR1 (0.47) FFAR1
SCHEMBL9192424 0.73 ALOX5 (0.48) FFAR1
SCHEMBL13907278 0.72 CYP2A6 (0.62) FFAR1GRM5CHRNB2CHRNA4
SCHEMBL9195929 0.72 ACACB (0.52) ACACB
SCHEMBL9189969 0.72 ALOX5 (0.43) FFAR1PTGESACACB

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-0468281-B1 Substituted phenylacetylenes, pharmaceuticals containing them and methods for the preparation of these compounds and pharmaceuticals GRUENENTHAL GMBH (DE) 1995-03-08 EP disclosed
US-5202349-A Lipoxygenase inhibitors, antiasthatics GRUENENTHAL GMBH (DE) 1993-04-13 US disclosed
EP-0468281-A1 Substituted phenylacetylenes, pharmaceuticals containing them and methods for the preparation of these compounds and pharmaceuticals Grünenthal GmbH (DE) 1992-01-29 EP disclosed