SCHEMBL7555425

SCHEMBL7555425

CCC(=O)c1nc(NC(=O)[C@H](C)N)cs1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 15/20 0.44
▸ BIRC2 Q13490 4/20 0.44
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ PLA2G4A P47712 1/20 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
SCHEMBL7378258 0.77 XIAP (0.42) XIAPBIRC2TAAR1
SCHEMBL13907113 0.69 XIAP (0.40) XIAPBIRC2
SCHEMBL28069679 0.68 PLA2G4A (0.37) NPC1RAB9ASMN1; SMN2PLA2G4A
SCHEMBL6840495 0.68 HSD17B10 (0.43) NPC1RAB9ASMN1; SMN2PLA2G4A
SCHEMBL2645328 0.67 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2
SCHEMBL26882860 0.67 CYP1A2 (0.41) NPC1RAB9ASMN1; SMN2
SCHEMBL31596034 0.66 PLA2G4A (0.41) NPC1RAB9ASMN1; SMN2PLA2G4A
SCHEMBL21722413 0.66 PLA2G4A (0.41) NPC1RAB9ASMN1; SMN2PLA2G4A
SCHEMBL21861642 0.66 TRPA1 (0.53) XIAPBIRC2
SCHEMBL20390889 0.66 XIAP (0.43) XIAPBIRC2NPC1RAB9ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992022313-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-12-23 — — WO disclosed
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