SCHEMBL7378258

SCHEMBL7378258

C[C@H](N)C(=O)Nc1csc(C(=O)OC(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 12/20 0.42
▸ BIRC2 Q13490 3/20 0.42
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ ABCB1 P08183 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ HPGDS O60760 1/20 0.32

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
SCHEMBL7555425 0.77 XIAP (0.44) XIAPBIRC2TAAR1
SCHEMBL28216257 0.73 CYP1A2 (0.36) ABCB1HPGDS
SCHEMBL27710732 0.72 HPGDS (0.37) HPGDS
SCHEMBL26678642 0.71 PI4KB (0.38) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL162380 0.70 HPGDS (0.38) ABCB1HPGDS
SCHEMBL17716411 0.70 HPGDS (0.47) ABCB1HPGDS
SCHEMBL29225400 0.69 GRM5 (0.41) ABCB1HPGDS
SCHEMBL9481637 0.69 GSK3B (0.37) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL10846586 0.66 ABCB1 (0.32) ABCB1
SCHEMBL10846580 0.66 ABCB1 (0.32) ABCB1

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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