SCHEMBL25504122

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)C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	1/20	0.44

▸	NMUR2	Q9GZQ4	4/20	0.43

▸	NMUR1	Q9HB89	4/20	0.43

▸	PLK1	P53350	1/20	0.43

▸	RAMP3	O60896	7/20	0.41

▸	CALCR	P30988	7/20	0.41

▸	NAA50	Q9GZZ1	1/20	0.40

▸	CXCR4	P61073	2/20	0.40

▸	OPRM1	P35372	2/20	0.40

▸	OPRK1	P41145	2/20	0.40

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
SCHEMBL25504123	0.92	APLNR (0.47)	APLNRNMUR2NMUR1RAMP3CALCR
SCHEMBL25475431	0.91	APLNR (0.48)	APLNRNMUR2NMUR1RAMP3CALCR
SCHEMBL25475911	0.90	APLNR (0.50)	APLNRNMUR2NMUR1RAMP3CALCR
SCHEMBL29569552	0.86	NMUR2 (0.47)	APLNRNMUR2NMUR1RAMP3CALCR
SCHEMBL29889179	0.86	NMUR2 (0.47)	NMUR2NMUR1RAMP3CALCROPRM1
SCHEMBL29568732	0.85	NMUR2 (0.47)	APLNRNMUR2NMUR1RAMP3CALCR
SCHEMBL31367020	0.84	NMUR2 (0.45)	APLNRNMUR2NMUR1PLK1RAMP3
SCHEMBL29570031	0.84	NMUR2 (0.50)	NMUR2NMUR1RAMP3CALCRCXCR4
SCHEMBL29568813	0.84	APLNR (0.48)	APLNRNMUR2NMUR1PLK1RAMP3
SCHEMBL29568619	0.84	APLNR (0.48)	APLNRNMUR2NMUR1PLK1RAMP3

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