SCHEMBL3866931

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	OPRK1	P41145	11/20	0.58

▸	OPRM1	P35372	10/20	0.58

▸	F2	P00734	1/20	0.56

▸	NMUR2	Q9GZQ4	2/20	0.55

▸	NMUR1	Q9HB89	2/20	0.55

▸	NTSR1	P30989	1/20	0.53

▸	REN	P00797	2/20	0.53

▸	OPRD1	P41143	1/20	0.52

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
SCHEMBL3221787	0.98	OPRK1 (0.59)	OPRK1OPRM1F2NMUR2NMUR1
SCHEMBL3221767	0.98	OPRK1 (0.59)	OPRK1OPRM1F2NMUR2NMUR1
SCHEMBL3204393	0.96	OPRK1 (0.59)	OPRK1OPRM1F2NMUR2NMUR1
SCHEMBL3204375	0.96	OPRK1 (0.59)	OPRK1OPRM1F2NMUR2NMUR1
SCHEMBL3221824	0.92	OPRK1 (0.56)	OPRK1OPRM1F2NMUR2NMUR1
SCHEMBL30064503	0.87	OPRK1 (0.58)	OPRK1OPRM1F2OPRD1
SCHEMBL31512206	0.86	ACE (0.58)	OPRK1OPRM1F2NTSR1REN
SCHEMBL30693080	0.85	OPRM1 (0.56)	OPRK1OPRM1NTSR1RENOPRD1
SCHEMBL31588354	0.84	OPRM1 (0.61)	OPRK1OPRM1NMUR2NMUR1NTSR1
SCHEMBL20769314	0.84	ACE (0.58)	OPRK1OPRM1F2NTSR1REN

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
EP-2040758-A2	BIORESPONSIVE POLYMERS	Interface Biologics Inc. (CA)	2009-04-01	—	—	EP	disclosed
WO-2008053362-A2	BIORESPONSIVE POLYMERS	INTERFACE BIOLOGICS, INC. (CA)	2008-05-08	—	—	WO	disclosed