SCHEMBL24580397

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)OC(c1ccccc1)(c1ccc(C2CCCCCCCC2)cc1)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	PRCP	P42785	1/20	0.37

▸	TLR2	O60603	1/20	0.36

▸	TLR1	Q15399	1/20	0.36

▸	ITGB3	P05106	1/20	0.36

▸	ITGA2B	P08514	1/20	0.36

▸	KMT2A	Q03164	1/20	0.33

▸	CMA1	P23946	4/20	0.33

▸	REN	P00797	2/20	0.33

▸	NTSR2	O95665	1/20	0.33

▸	NTSR1	P30989	1/20	0.33

▸	MDM2	Q00987	1/20	0.33

▸	ELANE	P08246	1/20	0.33

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
SCHEMBL24580348	0.93	PRCP (0.42)	PRCPTLR2TLR1ITGB3ITGA2B
SCHEMBL29696666	0.90	PRCP (0.43)	PRCPTLR2TLR1ITGB3ITGA2B
SCHEMBL24579344	0.89	KMT2A (0.39)	KMT2ACMA1REN
SCHEMBL24580398	0.84	PRCP (0.44)	PRCPTLR2TLR1ITGB3ITGA2B
SCHEMBL29697749	0.84	PRCP (0.44)	PRCPTLR2TLR1ITGB3ITGA2B
SCHEMBL24580044	0.83	CCR1 (0.34)	PRCPKMT2AELANE
SCHEMBL29696622	0.82	PRCP (0.49)	PRCPTLR2TLR1ITGB3ITGA2B
SCHEMBL24579230	0.81	PRCP (0.39)	PRCP
SCHEMBL24828861	0.79	PRCP (0.39)	PRCPMDM2
SCHEMBL22388726	0.79	PRCP (0.39)	PRCPMDM2

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-2022138891-A1	METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE	中外製薬株式会社	2022-06-30	—	—	WO	disclosed