SCHEMBL7071001

SCHEMBL7071001

CC(N)CC=Cc1cncc(N(C=O)Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.47
AKT1 P31749 7/20 0.34
ROCK2 O75116 2/20 0.34
PIM1 P11309 2/20 0.34
PRKACA P17612 2/20 0.34
RPS6KB1 P23443 2/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
PRKCD Q05655 2/20 0.34
ROCK1 Q13464 2/20 0.34
DYRK1A Q13627 2/20 0.34
CDC42BPA Q5VT25 2/20 0.34
RPS6KA5 O75582 1/20 0.34
MAP4K4 O95819 1/20 0.34
CLK2 P49760 1/20 0.34
PRKX P51817 1/20 0.34
PRKG2 Q13237 1/20 0.34
PRKG1 Q13976 1/20 0.34
PKN2 Q16513 1/20 0.34
PIM3 Q86V86 1/20 0.34

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
SCHEMBL620526 0.80 CHRNB2 (0.48) AKT1CHRNB2CHRNA4POLBMAPT
SCHEMBL7527852 0.76 CHRNB2 (0.35) CHRNB2CHRNA4
SCHEMBL7098331 0.72 HTR2C (0.39) AKT1SLC6A4
SCHEMBL8590778 0.68 HTR2A (0.50) HTR2AAKT1CHRNB2CHRNA4
SCHEMBL19586284 0.67 HTR2A (1.00) HTR2AMAOASLC6A2SLC6A4SLC6A3
SCHEMBL19586953 0.67 HTR2A (1.00) HTR2AMAOASLC6A2SLC6A4SLC6A3
SCHEMBL19586755 0.67 HTR2A (1.00) HTR2AMAOASLC6A2SLC6A4SLC6A3
SCHEMBL19586584 0.67 HTR2A (1.00) HTR2AMAOASLC6A2SLC6A4SLC6A3
SCHEMBL19586585 0.67 HTR2A (1.00) HTR2AMAOASLC6A2SLC6A4SLC6A3
SCHEMBL19586285 0.67 HTR2A (1.00) HTR2AMAOASLC6A2SLC6A4SLC6A3

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 4 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
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