SCHEMBL7401387

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=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](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	13/20	0.63

▸	CXCL8	P10145	5/20	0.58

▸	CAPN1	P07384	2/20	0.58

▸	CTSB	P07858	2/20	0.58

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
SCHEMBL30311133	0.86	KISS1R (0.58)	KISS1RCXCL8
SCHEMBL31688327	0.84	F2 (0.58)	KISS1RCXCL8
SCHEMBL31606506	0.84	KISS1R (0.61)	KISS1RCXCL8
SCHEMBL30949449	0.84	CAPN1 (0.61)	KISS1RCXCL8CAPN1CTSB
SCHEMBL30648460	0.84	KISS1R (0.64)	KISS1RCXCL8CAPN1CTSB
SCHEMBL30511828	0.84	NPY1R (0.61)	KISS1RCXCL8
SCHEMBL30949450	0.84	SLC6A2 (0.61)	KISS1RCXCL8CAPN1CTSB
SCHEMBL30712911	0.84	NPY1R (0.61)	—
SCHEMBL31606485	0.84	CXCL8 (0.56)	KISS1RCXCL8
SCHEMBL30262151	0.83	KISS1R (0.59)	KISS1RCXCL8

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