SCHEMBL4701217

SCHEMBL4701217

CCC(C)(N)C(C)C(=O)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.56
SLC6A3 Q01959 4/20 0.56
CHRNA1 P02708 2/20 0.56
CHRNG P07510 2/20 0.56
CHRNB1 P11230 2/20 0.56
CHRNB2 P17787 2/20 0.56
CHRNB4 P30926 2/20 0.56
SLC6A4 P31645 2/20 0.56
CHRNA3 P32297 2/20 0.56
CHRNA4 P43681 2/20 0.56
CHRND Q07001 2/20 0.56
ITGA5 P08648 1/20 0.56
CYP2C19 P33261 1/20 0.56
HRH1 P35367 1/20 0.56
CHRNA7 P36544 1/20 0.56
OPRK1 P41145 1/20 0.56
KCNH2 Q12809 1/20 0.56
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
BLM P54132 1/20 0.55

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
SCHEMBL23571741 0.82 SLC6A2 (0.65) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL15478523 0.76 CYP2B6 (0.80) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL4701216 0.75 PARP1 (0.47) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL20809637 0.75 SLC6A2 (0.56) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL1093383 0.75 SLC6A2 (0.56) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL3851904 0.75 SLC6A2 (0.59) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL3852863 0.75 SLC6A2 (0.59) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL9041221 0.75 SLC6A2 (0.59) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL685167 0.75 SLC6A2 (0.60) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL8159886 0.74 SLC6A2 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968603-A2 THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS Algebra Inc. (US) 2008-09-17 EP disclosed
WO-2007079470-A2 THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS ALGEBRA, INC. (US) 2007-07-12 WO disclosed