SCHEMBL7071010

SCHEMBL7071010

CCC(N)CC=Cc1cnc2c(c1)OCO2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.32
CYP3A4 P08684 1/20 0.31
ATM Q13315 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP19A1 P11511 1/20 0.30

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
SCHEMBL618552 0.80 CHRNB2 (0.49) PAX8CYP3A4ATMSLC6A4
SCHEMBL24435016 0.78 SLC6A2 (0.37) PAX8CYP3A4ATMSLC6A4CYP19A1
SCHEMBL24434448 0.75 GABRA1 (0.38) PAX8CYP3A4ATMCYP19A1
SCHEMBL620582 0.72 CHRNB2 (0.49) SLC6A4
SCHEMBL5878612 0.71 NOS3 (0.41)
SCHEMBL5878615 0.71 NOS3 (0.41)
SCHEMBL7067558 0.70 HTR2A (0.37)
SCHEMBL20153698 0.70 HSD17B10 (0.39) PAX8CYP3A4ATM
SCHEMBL5198006 0.69 CHRNB2 (0.39)
SCHEMBL5198003 0.69 CHRNB2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317267-A2 COMPOSITIONS CONTAINING DIACYLTARTARIC SALTS OF (E)-METANICOTINE Targacept, Inc. (US) 2003-06-11 EP disclosed
EP-1311265-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS Targacept, Inc. (US) 2003-05-21 EP disclosed
EP-1185514-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept, Inc. (US) 2002-03-13 EP disclosed
WO-2002005801-A2 COMPOSITIONS CONTAINING DIACYLTARTARIC SALTS OF (E)-METANICOTINE TARGACEPT, INC. (US) 2002-01-24 WO disclosed
WO-2002005798-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS TARGACEPT, INC. (US) 2002-01-24 WO disclosed
WO-2000075110-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2000-12-14 WO disclosed