SCHEMBL7546785

SCHEMBL7546785

CNC(C)CC=Cc1ccc2c(c1)OCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.55
SLC6A3 Q01959 2/20 0.55
CYP2D6 P10635 1/20 0.55
SLC6A4 P31645 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
CYP3A4 P08684 1/20 0.54
ATM Q13315 1/20 0.54
TRPV1 Q8NER1 1/20 0.48
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PGR P06401 1/20 0.48
AR P10275 1/20 0.48
MAOA P21397 1/20 0.48
PDE4A P27815 1/20 0.48
KDR P35968 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP19A1 P11511 1/20 0.48
SOAT1 P35610 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL7546784 1.00 SLC6A2 (0.55) SLC6A2SLC6A3CYP2D6SLC6A4TAAR1
SCHEMBL618552 0.81 CHRNB2 (0.49) SLC6A2SLC6A3CYP2D6SLC6A4TAAR1
SCHEMBL7104366 0.78 CHRNB2 (0.58) SLC6A2SLC6A3CYP2D6SLC6A4TAAR1
SCHEMBL7546781 0.77 CHRNB2 (0.43) SLC6A2SLC6A3CYP2D6SLC6A4TAAR1
SCHEMBL8152971 0.77 CYP3A4 (0.61) SLC6A2SLC6A3CYP3A4ATMGABRA1
SCHEMBL8152968 0.77 CYP3A4 (0.61) SLC6A2SLC6A3CYP3A4ATMGABRA1
SCHEMBL256709 0.77 CYP3A4 (0.66) SLC6A2SLC6A3CYP3A4ATMGABRA1
SCHEMBL9149832 0.77 CYP3A4 (0.66) SLC6A2SLC6A3CYP3A4ATMGABRA1
SCHEMBL11815290 0.75 CYP3A4 (0.48) SLC6A2SLC6A3CYP3A4ATMTRPV1
SCHEMBL11815285 0.75 CYP3A4 (0.48) SLC6A2SLC6A3CYP3A4ATMTRPV1

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