SCHEMBL11650974

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	10/20	0.62

▸	OPRM1	P35372	3/20	0.58

▸	OPRK1	P41145	2/20	0.58

▸	CALCR	P30988	2/20	0.57

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
SCHEMBL11650961	0.98	OPRD1 (0.60)	OPRD1OPRM1OPRK1CALCR
SCHEMBL29533605	0.95	CALCR (0.63)	OPRD1OPRM1OPRK1CALCR
SCHEMBL29516785	0.94	CALCR (0.64)	OPRD1OPRM1OPRK1CALCR
SCHEMBL31332122	0.94	CALCR (0.64)	OPRD1OPRM1OPRK1CALCR
SCHEMBL11667808	0.93	CALCR (0.63)	OPRD1OPRM1OPRK1CALCR
SCHEMBL11667794	0.92	CALCR (0.64)	OPRD1OPRM1OPRK1CALCR
SCHEMBL11664815	0.92	CALCR (0.62)	OPRD1OPRM1OPRK1CALCR
SCHEMBL30439066	0.92	CALCR (0.66)	OPRD1OPRM1OPRK1CALCR
SCHEMBL11652700	0.91	CALCR (0.64)	OPRD1OPRM1OPRK1CALCR
SCHEMBL11651860	0.91	CALCR (0.64)	OPRD1OPRM1OPRK1CALCR

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
US-4097471-A	ANALGESICS	AMERICAN HOME PRODUCTS CORPORATION (US)	1978-06-27	—	—	US	claimed
US-4097471-A	ANALGESICS	AMERICAN HOME PRODUCTS CORPORATION (US)	1978-06-27	—	—	US	disclosed