SCHEMBL9497221

SCHEMBL9497221

Cc1cc(O)cc(C)c1C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(CCS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)O)C(C)(C)S

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.52
▸ REN P00797 4/20 0.47
▸ CTSS P25774 6/20 0.47
▸ CTSK P43235 5/20 0.47
▸ CTSB P07858 2/20 0.47
▸ CTSL P07711 2/20 0.47
▸ ACE P12821 1/20 0.46
▸ AKT1 P31749 1/20 0.43
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42

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
SCHEMBL9496635 0.93 OPRM1 (0.53) OPRM1RENCTSSCTSKCTSB
SCHEMBL9727738 0.88 OPRM1 (0.68) OPRM1RENCTSSCTSKCTSB
SCHEMBL9498115 0.87 OPRM1 (0.58) OPRM1
SCHEMBL9498132 0.86 OPRM1 (0.49) OPRM1RENCTSSCTSKCTSB
SCHEMBL9498146 0.86 OPRM1 (0.49) OPRM1RENCTSSCTSKCTSB
SCHEMBL9498775 0.86 CTSS (0.51) OPRM1RENCTSSCTSKCTSB
SCHEMBL9497262 0.86 OPRM1 (0.46) OPRM1RENCTSSCTSKCTSB
SCHEMBL9497398 0.84 CTSS (0.44) OPRM1RENCTSSCTSKCTSB
SCHEMBL9497958 0.84 CTSS (0.64) RENCTSSCTSKCTSBCTSL
SCHEMBL9497947 0.84 CTSS (0.64) RENCTSSCTSKCTSBCTSL

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
US-5216124-A Analgesics G. D. SEARLE & CO. (US) 1993-06-01 — — US disclosed
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