SCHEMBL7443144

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)C(C)C)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.62

▸	MAOB	P27338	1/20	0.60

▸	KDM5A	P29375	1/20	0.60

▸	KDM1B	Q8NB78	1/20	0.60

▸	NTSR1	P30989	5/20	0.56

▸	NTSR2	O95665	4/20	0.56

▸	SORT1	Q99523	3/20	0.56

▸	OPRD1	P41143	2/20	0.56

▸	OPRM1	P35372	1/20	0.56

▸	OPRK1	P41145	1/20	0.56

▸	NMUR2	Q9GZQ4	2/20	0.56

▸	NMUR1	Q9HB89	1/20	0.56

▸	NPY1R	P25929	1/20	0.54

▸	NPY2R	P49146	1/20	0.54

▸	NPY4R	P50391	1/20	0.54

▸	NPY5R	Q15761	1/20	0.54

▸	TFPI	P10646	2/20	0.54

▸	AGTR1	P30556	1/20	0.54

▸	AGTR2	P50052	1/20	0.54

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
SCHEMBL30930552	0.87	NPY2R (0.60)	KDM1AMAOBKDM5AKDM1BNTSR1
SCHEMBL30431861	0.87	NTSR1 (0.61)	KDM1AMAOBKDM5AKDM1BNTSR1
SCHEMBL30571136	0.87	NTSR1 (0.60)	NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL31005057	0.86	NPY2R (0.59)	KDM1AOPRD1OPRM1OPRK1NMUR2
SCHEMBL30495740	0.86	NPY2R (0.62)	KDM1AMAOBKDM5AKDM1BNTSR1
SCHEMBL31509501	0.86	NTSR1 (0.61)	NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL31031546	0.86	KDM1A (0.67)	KDM1AMAOBKDM5AKDM1BNMUR2
SCHEMBL31411493	0.85	NTSR1 (0.62)	NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL30432274	0.85	NTSR2 (0.59)	KDM1AMAOBKDM5AKDM1BNTSR1
SCHEMBL31457347	0.85	NTSR1 (0.64)	NTSR1NTSR2SORT1OPRD1OPRM1

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
US-5916876-A	DERIVED FROM SEQUENCE OF AMINO ACIDS 42-48 OF P-SELECTIN	CENTOCOR, INC. (US)	1999-06-29	—	—	US	disclosed
WO-1994005314-A1	PEPTIDE INHIBITORS OF LEUKOCYTE ADHESION	CENTOCOR, INC. (US)	1994-03-17	—	—	WO	disclosed