SCHEMBL7071004

SCHEMBL7071004

CC(=CCCN)c1cncc(N(C=O)Cc2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.35
GAA P10253 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM2 Q14416 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7098984 0.71 TDP1 (0.36) GAATSHRSMN1; SMN2L3MBTL1TDP1
SCHEMBL7101213 0.70 HDAC3 (0.35) GAATSHRSMN1; SMN2L3MBTL1KMT2A
SCHEMBL7101211 0.70 HDAC3 (0.35) GAATSHRSMN1; SMN2L3MBTL1KMT2A
SCHEMBL8590780 0.68 KDM4E (0.44) TBXAS1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL7071001 0.67 HTR2A (0.47)
SCHEMBL620526 0.67 CHRNB2 (0.48) ATMGRM2KMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL11775309 0.66 GAA (0.50) GAATSHRGRM2KMT2A
SCHEMBL5196886 0.66 AOC3 (0.34) TBXAS1GAA
SCHEMBL3128200 0.65 TBXAS1 (0.61) TBXAS1GAASMN1; SMN2TDP1KDM4E
SCHEMBL305634 0.65 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1

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