SCHEMBL29791696

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CCKBR	P32239	9/20	0.53

▸	CCKAR	P32238	7/20	0.53

▸	OPRD1	P41143	2/20	0.53

▸	PRMT1	Q99873	1/20	0.52

▸	CXCR4	P61073	2/20	0.52

▸	IL23R	Q5VWK5	4/20	0.50

▸	MMP1	P03956	1/20	0.48

▸	NPBWR1	P48145	1/20	0.48

▸	OPRM1	P35372	1/20	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
SCHEMBL30129802	0.97	CCKAR (0.54)	CCKBRCCKAROPRD1PRMT1CXCR4
SCHEMBL16161422	0.97	CCKAR (0.54)	CCKBRCCKAROPRD1PRMT1CXCR4
SCHEMBL31074780	0.94	ERAP2 (0.51)	CCKBRCCKAROPRD1MMP1
SCHEMBL31190178	0.93	PRMT1 (0.54)	CCKBRCCKAROPRD1PRMT1CXCR4
SCHEMBL31659444	0.92	CCKAR (0.54)	CCKBRCCKAROPRD1PRMT1CXCR4
SCHEMBL31484223	0.91	ERAP2 (0.51)	CCKBRCCKAROPRD1MMP1
SCHEMBL31074790	0.91	MMP1 (0.51)	MMP1
SCHEMBL29480592	0.90	OPRD1 (0.57)	CCKBRCCKAROPRD1PRMT1IL23R
SCHEMBL29772708	0.90	PRMT1 (0.54)	OPRD1PRMT1NPBWR1OPRM1
SCHEMBL30200105	0.90	ACE (0.52)	—

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-108203457-B	Antithrombotic small peptide omega KWR for targeted inhibition of platelet aggregation	山西医科大学	2022-09-06	—	—	CN	disclosed
CN-108203457-B	Antithrombotic small peptide omega KWR for targeted inhibition of platelet aggregation	山西医科大学	2022-09-06	—	—	CN	disclosed