SCHEMBL29777558

NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	PRCP	P42785	1/20	0.42

▸	FDFT1	P37268	2/20	0.41

▸	F2	P00734	1/20	0.41

▸	ACE	P12821	3/20	0.39

▸	MDM2	Q00987	5/20	0.39

▸	GRB2	P62993	1/20	0.38

▸	TLR2	O60603	2/20	0.38

▸	MDM4	O15151	1/20	0.37

▸	TP53	P04637	1/20	0.37

▸	NMUR2	Q9GZQ4	1/20	0.36

▸	NMUR1	Q9HB89	1/20	0.36

▸	DPP4	P27487	1/20	0.36

▸	DPP8	Q6V1X1	1/20	0.36

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
SCHEMBL29777562	0.94	PRCP (0.46)	PRCPFDFT1F2ACEMDM2
SCHEMBL29812564	0.87	PRCP (0.43)	PRCPFDFT1MDM2TLR2MDM4
SCHEMBL29777557	0.84	F2 (0.48)	F2ACENMUR2NMUR1
SCHEMBL29777552	0.84	F2 (0.45)	F2ACEGRB2NMUR2NMUR1
SCHEMBL17450537	0.83	PRCP (0.43)	PRCPFDFT1ACEMDM2MDM4
SCHEMBL31500760	0.82	PRCP (0.51)	PRCPFDFT1F2ACEMDM2
SCHEMBL30962356	0.81	PRCP (0.46)	PRCPFDFT1ACEMDM2MDM4
SCHEMBL29777551	0.81	MDM4 (0.47)	MDM2GRB2MDM4TP53
SCHEMBL29750784	0.78	ACE (0.45)	PRCPFDFT1F2ACEMDM2
SCHEMBL29777663	0.78	PRCP (0.48)	PRCPFDFT1F2ACEMDM2

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-2022141615-A1	SYNTHESIS METHOD FOR ATOSIBAN	湖北健翔生物制药有限公司	2022-07-07	—	—	WO	disclosed