SCHEMBL10378448

SCHEMBL10378448

CC(C)(C)OC(=O)CN1CC(c2ccsc2)SC[C@H](N2C(=O)c3ccccc3C2=O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.36
PLA2G5 P39877 2/20 0.36
DDB1 Q16531 2/20 0.32
CRBN Q96SW2 2/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKT1 P31749 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ADORA2B P29275 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SCN9A Q15858 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31

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
SCHEMBL10378325 1.00 PLA2G10 (0.36) PLA2G10PLA2G5DDB1CRBNKMT2A
SCHEMBL9527779 0.90 PLA2G10 (0.41) PLA2G10PLA2G5DDB1CRBNKMT2A
SCHEMBL10378114 0.86 CA12 (0.36) KMT2ASMN1; SMN2AKT1ADORA2B
SCHEMBL10378113 0.86 CA12 (0.36) KMT2ASMN1; SMN2AKT1ADORA2B
SCHEMBL9526699 0.85 MEN1 (0.39) PLA2G10PLA2G5KMT2ASMN1; SMN2KDM4E
SCHEMBL10378315 0.84 PLA2G10 (0.36) PLA2G10PLA2G5DDB1CRBNKMT2A
SCHEMBL10378471 0.84 PLA2G10 (0.36) PLA2G10PLA2G5DDB1CRBNKMT2A
SCHEMBL10376321 0.83 PLA2G10 (0.35) PLA2G10PLA2G5ADORA2BKDM4EALDH1A1
SCHEMBL10378356 0.83 PLA2G10 (0.35) PLA2G10PLA2G5ADORA2BKDM4EALDH1A1
SCHEMBL10376351 0.82 PLA2G10 (0.36) PLA2G10PLA2G5KMT2ASMN1; SMN2KDM4E

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-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