SCHEMBL30997459

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

nearest known ligand 0.56

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	6/20	0.56

▸	NMUR2	Q9GZQ4	6/20	0.55

▸	NMUR1	Q9HB89	6/20	0.55

▸	APLNR	P35414	1/20	0.54

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	OPRM1	P35372	3/20	0.53

▸	OPRD1	P41143	1/20	0.53

▸	CXCR4	P61073	2/20	0.52

▸	OPRK1	P41145	2/20	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
SCHEMBL29828704	0.92	NMUR2 (0.62)	EPHA2NMUR2NMUR1APLNRMAPK8
SCHEMBL30799488	0.91	OPRM1 (0.57)	EPHA2NMUR2NMUR1OPRM1OPRK1
SCHEMBL29406800	0.89	EPHA2 (0.59)	EPHA2NMUR2NMUR1OPRM1CXCR4
SCHEMBL30544090	0.89	OPRM1 (0.57)	EPHA2NMUR2NMUR1MAPK8MAPK9
SCHEMBL30973963	0.89	OPRM1 (0.64)	EPHA2NMUR2NMUR1OPRM1CXCR4
SCHEMBL30842156	0.89	NMUR2 (0.65)	NMUR2NMUR1OPRM1OPRD1CXCR4
SCHEMBL29983683	0.88	NMUR2 (0.60)	NMUR2NMUR1OPRM1OPRK1
SCHEMBL31019921	0.88	EPHA2 (0.59)	EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL29464014	0.87	OPRM1 (0.62)	EPHA2NMUR2NMUR1MAPK8MAPK9
SCHEMBL31289578	0.87	OPRM1 (0.57)	EPHA2NMUR2NMUR1OPRM1OPRD1

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-20240230663-A1	METHODS, COMPOSITIONS, AND SYSTEMS FOR PROFILING OR PREDICTING AN IMMUNE RESPONSE	AVAIL BIO INC (US)	2024-07-11	—	—	US	disclosed