SCHEMBL7298264

NC(=NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1ccccc1)N(CCC[C@H](N)C=O)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	ACE	P12821	5/20	0.45

▸	F2	P00734	1/20	0.44

▸	PRSS1	P07477	1/20	0.44

▸	ITGB3	P05106	2/20	0.42

▸	ITGA2B	P08514	2/20	0.42

▸	REN	P00797	1/20	0.41

▸	OPRM1	P35372	3/20	0.41

▸	OPRD1	P41143	2/20	0.41

▸	DPP4	P27487	1/20	0.41

▸	DPP8	Q6V1X1	1/20	0.41

▸	ACE2	Q9BYF1	1/20	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
SCHEMBL7297651	0.92	ITGB3 (0.47)	ACEITGB3ITGA2BRENOPRM1
SCHEMBL7303956	0.84	CPT2 (0.42)	ACEF2
SCHEMBL7304579	0.83	SPHK2 (0.43)	ACEF2DPP4DPP8
SCHEMBL7302617	0.76	ACE (0.45)	ACEF2
SCHEMBL7297128	0.75	CPT2 (0.44)	ACEDPP4DPP8
SCHEMBL11096587	0.75	ACE (0.54)	ACEITGB3ITGA2BRENACE2
SCHEMBL11097636	0.74	ACE (0.55)	ACEITGB3ITGA2BRENACE2
SCHEMBL11094200	0.74	ACE (0.52)	ACEITGB3ITGA2BRENDPP4
SCHEMBL7302798	0.74	SPHK2 (0.44)	ACEOPRM1OPRD1DPP4DPP8
SCHEMBL13533686	0.73	ACE (0.65)	ACEITGB3ITGA2BRENOPRM1

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-0526877-A2	Peptide aldehydes as antithrombotic agents	Bristol-Myers Squibb Company (US)	1993-02-10	—	—	EP	disclosed