SCHEMBL5744280

SCHEMBL5744280

CC(=O)C(C#N)C(C)C(=O)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.49
SLC6A3 Q01959 4/20 0.49
CHRNA1 P02708 2/20 0.49
CHRNG P07510 2/20 0.49
CHRNB1 P11230 2/20 0.49
CHRNB2 P17787 2/20 0.49
CHRNB4 P30926 2/20 0.49
SLC6A4 P31645 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNA4 P43681 2/20 0.49
CHRND Q07001 2/20 0.49
CYP2C19 P33261 2/20 0.49
ITGA5 P08648 1/20 0.49
HRH1 P35367 1/20 0.49
CHRNA7 P36544 1/20 0.49
OPRK1 P41145 1/20 0.49
KCNH2 Q12809 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL5746092 0.82 LMNA (0.43) SLC6A2SLC6A3CYP2C19HRH1KCNH2
SCHEMBL5746425 0.79 SLC6A2 (0.50) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL28529322 0.77 PARP1 (0.52) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL5370186 0.75 GSK3B (0.50) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL8159886 0.74 SLC6A2 (0.63) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL9954465 0.74 SLC6A2 (0.51) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL29589450 0.73 SLC6A2 (0.58) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL2070613 0.73 SLC6A2 (0.61) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL2599159 0.73 SLC6A2 (0.61) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL5256414 0.73 SLC6A2 (0.61) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1

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-0842923-B1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU CO LTD (JP) 2006-03-01 EP disclosed
CN-1090617-C Pyrrole derivatives and pharmaceutical compositions NIPPON SHINYAKU CO LTD (JP) 2002-09-11 CN disclosed
US-6172102-B1 POLLAKIURIA OR URINARY INCONTINENCE NIPPON SHINYAKU CO., LTD. (JP) 2001-01-09 US disclosed
US-5998459-A INCOTINENCE THERAPY NIPPON SHINYAKU CO., LTD. (JP) 1999-12-07 US disclosed
CN-1186485-A Pyrrole derivatives and pharmaceutical compositions NIPPON SHINYAKU CO LTD (JP) 1998-07-01 CN disclosed
EP-0842923-A1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1998-05-20 EP disclosed