SCHEMBL30064503

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

nearest known ligand 0.58

Predicted protein targets (top 6)

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

▸	OPRM1	P35372	10/20	0.58

▸	GNRHR	P30968	3/20	0.54

▸	OPRD1	P41143	1/20	0.52

▸	ACE	P12821	1/20	0.51

▸	F2	P00734	1/20	0.51

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
SCHEMBL3204375	0.90	OPRK1 (0.59)	OPRK1OPRM1OPRD1F2
SCHEMBL3204393	0.90	OPRK1 (0.59)	OPRK1OPRM1OPRD1F2
SCHEMBL29914819	0.90	NTSR2 (0.48)	OPRK1OPRM1GNRHR
SCHEMBL3221787	0.88	OPRK1 (0.59)	OPRK1OPRM1F2
SCHEMBL3221767	0.88	OPRK1 (0.59)	OPRK1OPRM1F2
SCHEMBL29389906	0.87	GNRHR (0.56)	OPRM1GNRHROPRD1
SCHEMBL3866931	0.87	OPRK1 (0.58)	OPRK1OPRM1OPRD1F2
SCHEMBL29679700	0.85	CXCR4 (0.53)	OPRK1OPRM1OPRD1F2
SCHEMBL30512720	0.84	APLNR (0.53)	OPRK1OPRM1OPRD1F2
SCHEMBL29679694	0.84	NPY2R (0.55)	OPRK1OPRM1OPRD1

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
EP-4051309-A1	LHRH-PACLITAXEL CONJUGATES AND METHODS OF USE	Worcester Polytechnic Institute (US)	2022-09-07	—	—	EP	disclosed