SCHEMBL9380583

SCHEMBL9380583

CC(=O)[N+]1([O-])CCC(=C2c3ccc(Cl)cc3SCc3cccnc32)CC1=O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.53
FNTB P49356 9/20 0.53
SLC6A15 Q9H2J7 8/20 0.44
HRH1 P35367 5/20 0.44
PTAFR P25105 4/20 0.44

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
SCHEMBL9374136 0.79 FNTA (0.61) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL9374487 0.77 PTAFR (0.73) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL6994297 0.76 FNTA (0.71) FNTAFNTBSLC6A15HRH1
SCHEMBL6996008 0.74 FNTA (0.71) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL9207035 0.74 FNTA (0.58) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL6993629 0.73 HRH1 (0.69) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL9374145 0.73 FNTA (0.62) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL7000792 0.72 SLC6A15 (0.75) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL9734604 0.72 FNTA (0.58) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL9563106 0.71 FNTA (0.78) FNTAFNTBSLC6A15HRH1PTAFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0341860-B1 Benzopyrido piperidine, piperidylidene and piperazine compounds, compositions, methods of manufacture and methods of use SCHERING CORP (US) 1994-07-13 EP disclosed
EP-0411048-A1 NOVEL BENZOPYRIDO PIPERIDINE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS, COMPOSITIONS, METHODS OF MANUFACTURE AND METHODS OF USE SCHERING CORPORATION (US) 1991-02-06 EP disclosed
WO-1989010369-A1 NOVEL BENZOPYRIDO PIPERIDINE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS, COMPOSITIONS, METHODS OF MANUFACTURE AND METHODS OF USE SCHERING CORPORATION (US) 1989-11-02 WO disclosed