SCHEMBL9727738

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

nearest known ligand 0.68

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	5/20	0.68

▸	CTSS	P25774	8/20	0.48

▸	CTSK	P43235	7/20	0.48

▸	CTSB	P07858	4/20	0.48

▸	CTSL	P07711	3/20	0.48

▸	ACE	P12821	1/20	0.47

▸	REN	P00797	1/20	0.45

▸	AKT1	P31749	1/20	0.44

▸	PSMB1	P20618	1/20	0.44

▸	PSMB8	P28062	1/20	0.44

▸	PSMB9	P28065	1/20	0.44

▸	PSMB5	P28074	1/20	0.44

▸	PSMB10	P40306	1/20	0.44

▸	PSMB2	P49721	1/20	0.44

▸	OPRD1	P41143	2/20	0.43

▸	OPRK1	P41145	2/20	0.43

▸	HDAC8	Q9BY41	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.

Compound	similarity	top predicted	shared targets
SCHEMBL9728253	0.93	OPRM1 (0.59)	OPRM1CTSSCTSKCTSBCTSL
SCHEMBL9727701	0.90	OPRM1 (0.63)	OPRM1CTSSCTSKCTSBCTSL
SCHEMBL9496635	0.89	OPRM1 (0.53)	OPRM1CTSSCTSKCTSBCTSL
SCHEMBL9497221	0.88	OPRM1 (0.52)	OPRM1CTSSCTSKCTSBCTSL
SCHEMBL9727846	0.87	OPRM1 (0.76)	OPRM1OPRD1OPRK1
SCHEMBL9728049	0.87	OPRM1 (0.76)	OPRM1OPRD1OPRK1
SCHEMBL9498132	0.84	OPRM1 (0.49)	OPRM1CTSSCTSKCTSBCTSL
SCHEMBL9498146	0.84	OPRM1 (0.49)	OPRM1CTSSCTSKCTSBCTSL
SCHEMBL9497958	0.83	CTSS (0.64)	CTSSCTSKCTSBCTSLACE
SCHEMBL9497947	0.83	CTSS (0.64)	CTSSCTSKCTSBCTSLACE

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5169833-A	Analgesics	G. D. SEARLE & CO. (US)	1992-12-08	—	—	US	disclosed