SCHEMBL7545942

SCHEMBL7545942

CNC(C)C/C=C/c1ccc(C)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
HTR2A P28223 3/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL7545951 1.00 CHRNB2 (0.48) CHRNB2CHRNA4TUBB4ATUBBTUBA3C
SCHEMBL6255110 0.77 CHRNB2 (0.56) CHRNB2CHRNA4HTR2AGRIK1GRIK2
SCHEMBL6253226 0.77 CHRNB2 (0.56) CHRNB2CHRNA4HTR2AGRIK1GRIK2
SCHEMBL6253103 0.77 CHRNB2 (0.56) CHRNB2CHRNA4HTR2AGRIK1GRIK2
SCHEMBL6253231 0.77 CHRNB2 (0.56) CHRNB2CHRNA4HTR2AGRIK1GRIK2
SCHEMBL6255116 0.77 CHRNB2 (0.56) CHRNB2CHRNA4HTR2AGRIK1GRIK2
SCHEMBL6253108 0.77 CHRNB2 (0.56) CHRNB2CHRNA4HTR2AGRIK1GRIK2
SCHEMBL7548336 0.76 CHRNB2 (0.43) CHRNB2CHRNA4ALDH1A1TDP1CYP3A4
SCHEMBL7548328 0.76 CHRNB2 (0.43) CHRNB2CHRNA4ALDH1A1TDP1CYP3A4
SCHEMBL7549120 0.75 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1GRIK1GRIK2

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