SCHEMBL7328882

C[C@H](NC(=O)[C@@H](N)CO)C(=O)N(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCC(CO)[C@@H]([C]=O)NC(=O)CCCCCc1ccc(O)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CNR2	P34972	3/20	0.33

▸	CNR1	P21554	2/20	0.33

▸	NMT2	O60551	2/20	0.32

▸	NMT1	P30419	2/20	0.32

▸	SPHK1	Q9NYA1	2/20	0.32

▸	OPRM1	P35372	1/20	0.31

▸	OPRD1	P41143	1/20	0.31

▸	OPRK1	P41145	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.

Compound	similarity	top predicted	shared targets
SCHEMBL7333441	0.89	SPHK1 (0.33)	CNR2CNR1NMT2NMT1SPHK1
SCHEMBL7322415	0.89	SPHK1 (0.33)	CNR2CNR1NMT2NMT1SPHK1
SCHEMBL7324372	0.86	SDCBP (0.35)	NMT2NMT1SPHK1OPRM1OPRD1
SCHEMBL7328954	0.86	SDCBP (0.35)	NMT2NMT1SPHK1OPRM1OPRD1
SCHEMBL7330074	0.85	SPHK1 (0.39)	CNR2CNR1SPHK1OPRM1OPRD1
SCHEMBL7330004	0.82	ERAP2 (0.33)	SPHK1
SCHEMBL7330032	0.82	ERAP2 (0.33)	SPHK1
SCHEMBL9754459	0.78	CTSD (0.34)	CNR2CNR1NMT2NMT1
SCHEMBL7322952	0.76	CTSS (0.32)	—
SCHEMBL7329470	0.76	CTSS (0.32)	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-1990000399-A1	RETROVIRAL PROTEASE BINDING PEPTIDES	SMITHKLINE BECKMAN CORPORATION (US)	1990-01-25	—	—	WO	disclosed
EP-0352000-A2	Retroviral protease binding peptides	SMITHKLINE BEECHAM CORPORATION (US)	1990-01-24	—	—	EP	disclosed