SCHEMBL9526266

SCHEMBL9526266

CC(C)(C)OC(=O)CN1C(=O)C(N)CSCC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.44
PLA2G5 P39877 1/20 0.44
RAMP1 O60894 3/20 0.41
CALCRL Q16602 3/20 0.41
RIPK1 Q13546 4/20 0.39
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
ABCB1 P08183 1/20 0.36
CCKBR P32239 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL9526268 1.00 PLA2G10 (0.44) PLA2G10PLA2G5RAMP1CALCRLRIPK1
SCHEMBL8921216 0.84 RAMP1 (0.50) PLA2G10PLA2G5RAMP1CALCRLRIPK1
SCHEMBL13929747 0.84 RAMP1 (0.50) PLA2G10PLA2G5RAMP1CALCRLRIPK1
SCHEMBL10377805 0.84 ALDH1A1 (0.40) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL9527202 0.84 PLA2G10 (0.42) PLA2G10PLA2G5RAMP1CALCRLRIPK1
SCHEMBL10377803 0.84 ALDH1A1 (0.40) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL9527199 0.84 PLA2G10 (0.42) PLA2G10PLA2G5RAMP1CALCRLRIPK1
SCHEMBL7344553 0.83 SIGMAR1 (0.36) RIPK1SIGMAR1
SCHEMBL7344546 0.83 SIGMAR1 (0.36) RIPK1SIGMAR1
SCHEMBL8924459 0.82 PLA2G10 (0.44) 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