SCHEMBL9734604

SCHEMBL9734604

CC(=O)N1CCC(=C2c3ccc(Cl)cc3SCc3cccnc32)CC12OO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.58
FNTB P49356 9/20 0.58
SLC6A15 Q9H2J7 8/20 0.52
HRH1 P35367 6/20 0.52
PTAFR P25105 4/20 0.52
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
CACNA1F O60840 1/20 0.45
NR1I2 O75469 1/20 0.45
GMNN O75496 1/20 0.45
USP2 O75604 1/20 0.45
ABCB11 O95342 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CHRM2 P08172 1/20 0.45
ABCB1 P08183 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL6993665 0.90 FNTA (0.56) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL9374487 0.84 PTAFR (0.73) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL9374136 0.80 FNTA (0.61) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL6996008 0.80 FNTA (0.71) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL9374145 0.79 FNTA (0.62) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL7000792 0.77 SLC6A15 (0.75) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL9563106 0.76 FNTA (0.78) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL6995016 0.76 FNTA (0.52) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL6989397 0.76 FNTA (0.79) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL6993008 0.74 HRH1 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104876-A Antiallergens, antiinflammatory agent SCHERING CORPORATION 1992-04-14 US disclosed
EP-0341860-A1 Benzopyrido piperidine, piperidylidene and piperazine compounds, compositions, methods of manufacture and methods of use SCHERING CORPORATION (US) 1989-11-15 EP disclosed