SCHEMBL7546212

SCHEMBL7546212

CNC(C)C/C=C/c1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.56
CHRNA4 P43681 2/20 0.56
NFE2L2 Q16236 10/20 0.52
PIN1 Q13526 2/20 0.44
RELA Q04206 1/20 0.43
PTGS1 P23219 3/20 0.42
PTGS2 P35354 1/20 0.42
NQO2 P16083 1/20 0.41
FBP1 P09467 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
SCHEMBL7546224 1.00 CHRNB2 (0.56) CHRNB2CHRNA4NFE2L2PIN1RELA
SCHEMBL6255116 0.81 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL6253226 0.81 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL6255110 0.81 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL6253108 0.81 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL6253231 0.81 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL6253103 0.81 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL6255028 0.79 GRIK1 (0.55) CHRNB2CHRNA4NFE2L2RELANQO2
SCHEMBL7546225 0.79 CHRNB2 (0.54) CHRNB2CHRNA4
SCHEMBL6255032 0.79 GRIK1 (0.55) CHRNB2CHRNA4NFE2L2RELANQO2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214288-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept Inc. (US) 2002-06-19 EP claimed
US-6337351-B1 AROMATIC OLEFIN AMINES TARGACEPT, INC. 2002-01-08 US claimed
WO-2001017943-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2001-03-15 WO claimed
EP-1214288-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept Inc. (US) 2002-06-19 EP disclosed
EP-1214288-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept Inc. (US) 2002-06-19 EP disclosed
US-6337351-B1 AROMATIC OLEFIN AMINES TARGACEPT, INC. 2002-01-08 US disclosed
US-6337351-B1 AROMATIC OLEFIN AMINES TARGACEPT, INC. 2002-01-08 US disclosed
WO-2001017943-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2001-03-15 WO disclosed
WO-2001017943-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2001-03-15 WO disclosed