SCHEMBL7548336

SCHEMBL7548336

CNC(C)CC=Cc1ccc(C)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
ALDH1A1 P00352 7/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
RECQL P46063 2/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 2/20 0.38
HPGD P15428 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL7548328 1.00 CHRNB2 (0.43) CHRNB2CHRNA4ALDH1A1HTTMAPT
SCHEMBL7548332 0.88 ALDH1A1 (0.41) CHRNB2CHRNA4ALDH1A1HTTMAPT
SCHEMBL7548331 0.88 ALDH1A1 (0.41) CHRNB2CHRNA4ALDH1A1HTTMAPT
SCHEMBL7547819 0.84 TSHR (0.43) ALDH1A1HTTMAPTTDP1RECQL
SCHEMBL7547823 0.84 TSHR (0.43) ALDH1A1HTTMAPTTDP1RECQL
SCHEMBL7545951 0.76 CHRNB2 (0.48) CHRNB2CHRNA4ALDH1A1MAPTTDP1
SCHEMBL7545942 0.76 CHRNB2 (0.48) CHRNB2CHRNA4ALDH1A1MAPTTDP1
SCHEMBL23671598 0.74 ALDH1A1 (0.50) ALDH1A1HTTMAPTTDP1RECQL
SCHEMBL23671599 0.74 ALDH1A1 (0.50) ALDH1A1HTTMAPTTDP1RECQL
SCHEMBL7549109 0.73 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1CYP3A4MEN1

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