SCHEMBL29569452

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.57

▸	APLNR	P35414	3/20	0.55

▸	MC4R	P32245	1/20	0.53

▸	CTSL	P07711	3/20	0.50

▸	CTSS	P25774	3/20	0.50

▸	CTSK	P43235	3/20	0.50

▸	CXCR4	P61073	1/20	0.49

▸	CTSH	P09668	1/20	0.49

▸	OPRM1	P35372	5/20	0.48

▸	OPRK1	P41145	5/20	0.48

▸	OPRD1	P41143	3/20	0.48

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
SCHEMBL29569083	0.94	C5AR1 (0.50)	C5AR1APLNRMC4RCTSLCTSS
SCHEMBL29568401	0.94	C5AR1 (0.50)	C5AR1APLNRMC4RCTSLCTSS
SCHEMBL29568786	0.92	APLNR (0.48)	C5AR1APLNRMC4RCTSLCTSS
SCHEMBL29568777	0.88	APLNR (0.51)	C5AR1APLNRMC4RCTSLCTSS
SCHEMBL29568430	0.88	APLNR (0.53)	C5AR1APLNRMC4RCTSLCTSS
SCHEMBL29569366	0.87	APLNR (0.54)	C5AR1APLNRCTSLCTSSCTSK
SCHEMBL29568907	0.86	ITGB3 (0.46)	C5AR1APLNRCXCR4
SCHEMBL29568599	0.86	APLNR (0.50)	C5AR1APLNRMC4RCTSLCTSS
SCHEMBL29569355	0.86	C5AR1 (0.55)	C5AR1APLNRMC4R
SCHEMBL29569072	0.85	APLNR (0.54)	C5AR1APLNR

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-3320923-B1	FLUORESCENT IMAGING AGENTS	VISEN MEDICAL INC (US)	2022-04-06	—	—	EP	disclosed