SCHEMBL25504123

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	1/20	0.47

▸	OPRM1	P35372	6/20	0.45

▸	OPRK1	P41145	6/20	0.45

▸	NMUR2	Q9GZQ4	1/20	0.43

▸	NMUR1	Q9HB89	1/20	0.43

▸	TFPI	P10646	2/20	0.43

▸	CXCR4	P61073	3/20	0.43

▸	OPRD1	P41143	1/20	0.42

▸	RAMP3	O60896	5/20	0.42

▸	CALCR	P30988	5/20	0.42

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
SCHEMBL25475911	0.95	APLNR (0.50)	APLNROPRM1OPRK1NMUR2NMUR1
SCHEMBL25475431	0.93	APLNR (0.48)	APLNROPRM1OPRK1NMUR2NMUR1
SCHEMBL25504122	0.92	APLNR (0.44)	APLNROPRM1OPRK1NMUR2NMUR1
SCHEMBL29568732	0.88	NMUR2 (0.47)	APLNROPRM1OPRK1NMUR2NMUR1
SCHEMBL29568619	0.87	APLNR (0.48)	APLNRNMUR2NMUR1CXCR4OPRD1
SCHEMBL29568813	0.87	APLNR (0.48)	APLNRNMUR2NMUR1CXCR4OPRD1
SCHEMBL29569098	0.87	APLNR (0.48)	APLNRNMUR2NMUR1CXCR4OPRD1
SCHEMBL29569370	0.86	APLNR (0.49)	APLNROPRM1OPRK1NMUR2NMUR1
SCHEMBL29569360	0.86	APLNR (0.47)	APLNROPRM1OPRK1CXCR4OPRD1
SCHEMBL29569644	0.86	APLNR (0.47)	APLNROPRM1OPRK1CXCR4OPRD1

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
WO-2023078464-A1	EPSILON-POLY-L-LYSINE-BASED DRUG CONJUGATE, INTERMEDIATE THEREOF, AND APPLICATION THEREOF	上海弼领生物技术有限公司	2023-05-11	—	—	WO	disclosed