SCHEMBL9526498

SCHEMBL9526498

CC(C)(C)OC(=O)CN1CC(c2cccc3ccccc23)SCC(N)C1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
CCKBR P32239 1/20 0.39
PLA2G10 O15496 2/20 0.38
PLA2G5 P39877 2/20 0.38
POLB P06746 1/20 0.35
PKM P14618 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
NR1D1 P20393 2/20 0.33

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
SCHEMBL9527509 0.85 KMT2A (0.38) KMT2AMEN1ATMCCKBRPLA2G10
SCHEMBL9526436 0.84 PLA2G10 (0.43) CCKBRPLA2G10PLA2G5
SCHEMBL10635209 0.84 PLA2G10 (0.43) CCKBRPLA2G10PLA2G5
SCHEMBL9525301 0.83 KMT2A (0.41) KMT2AMEN1PLA2G10PLA2G5
SCHEMBL10638447 0.79 ALDH1A1 (0.39) KMT2AMEN1PLA2G10PLA2G5
SCHEMBL10376676 0.79 ALDH1A1 (0.39) KMT2AMEN1PLA2G10PLA2G5
SCHEMBL10376315 0.79 ALDH1A1 (0.39) KMT2AMEN1PLA2G10PLA2G5
SCHEMBL10376336 0.78 PLA2G10 (0.37) KMT2AMEN1PLA2G10PLA2G5POLB
SCHEMBL9526118 0.77 ACE (0.43)
SCHEMBL10378356 0.77 PLA2G10 (0.35) PLA2G10PLA2G5POLB

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-0365045-B1 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1993-12-01 EP disclosed
EP-0365045-A1 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1990-04-25 EP disclosed
US-4699905-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-13 US disclosed
EP-0161801-A2 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1985-11-21 EP disclosed