SCHEMBL7546223

SCHEMBL7546223

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.54
CHRNA4 P43681 2/20 0.54
HTR2A P28223 3/20 0.38
APP P05067 3/20 0.38
NR1H4 Q96RI1 2/20 0.37
HDAC4 P56524 1/20 0.37
MEF2D Q14814 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
GSK3B P49841 1/20 0.35
TSHR P16473 1/20 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
SCHEMBL7546225 1.00 CHRNB2 (0.54) CHRNB2CHRNA4HTR2AAPPNR1H4
SCHEMBL7550283 0.84 CHRNB2 (0.43) CHRNB2CHRNA4NR1H4HDAC4MEF2D
SCHEMBL7550285 0.84 CHRNB2 (0.43) CHRNB2CHRNA4NR1H4HDAC4MEF2D
SCHEMBL7545910 0.82 ALDH1A1 (0.41) HTR2AAPPNR1H4HDAC4MEF2D
SCHEMBL7545918 0.82 ALDH1A1 (0.41) HTR2AAPPNR1H4HDAC4MEF2D
SCHEMBL6253108 0.79 CHRNB2 (0.56) CHRNB2CHRNA4HTR2ANPC1MAPT
SCHEMBL6253226 0.79 CHRNB2 (0.56) CHRNB2CHRNA4HTR2ANPC1MAPT
SCHEMBL6253231 0.79 CHRNB2 (0.56) CHRNB2CHRNA4HTR2ANPC1MAPT
SCHEMBL6255116 0.79 CHRNB2 (0.56) CHRNB2CHRNA4HTR2ANPC1MAPT
SCHEMBL7546224 0.79 CHRNB2 (0.56) CHRNB2CHRNA4

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