SCHEMBL9527199

SCHEMBL9527199

CC(C)(C)OC(=O)CN1C(=O)C(N2C(=O)c3ccccc3C2=O)CSCC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.42
PLA2G5 P39877 1/20 0.42
RAMP1 O60894 3/20 0.40
CALCRL Q16602 3/20 0.40
RIPK1 Q13546 2/20 0.37
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CCKBR P32239 1/20 0.35
ABCB1 P08183 1/20 0.34

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
SCHEMBL9527202 1.00 PLA2G10 (0.42) PLA2G10PLA2G5RAMP1CALCRLRIPK1
SCHEMBL10376540 0.86 PLA2G10 (0.38) PLA2G10PLA2G5DDB1CRBNKDM4E
SCHEMBL10376538 0.86 PLA2G10 (0.38) PLA2G10PLA2G5DDB1CRBNKDM4E
SCHEMBL9526268 0.84 PLA2G10 (0.44) PLA2G10PLA2G5RAMP1CALCRLRIPK1
SCHEMBL9526266 0.84 PLA2G10 (0.44) PLA2G10PLA2G5RAMP1CALCRLRIPK1
SCHEMBL9527779 0.78 PLA2G10 (0.41) PLA2G10PLA2G5RIPK1DDB1CRBN
SCHEMBL10747614 0.78 PLA2G10 (0.43) PLA2G10PLA2G5RAMP1CALCRLRIPK1
SCHEMBL9826366 0.74 NPSR1 (0.43) CCKBR
SCHEMBL8104212 0.74 NPSR1 (0.43) CCKBR
SCHEMBL8921216 0.72 RAMP1 (0.50) PLA2G10PLA2G5RAMP1CALCRLRIPK1

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 5 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-0161801-B1 PERHYDROTHIAZEPINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANKYO COMPANY LIMITED (JP) 1990-11-07 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