SCHEMBL7331184

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

nearest known ligand 0.56

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CCKBR	P32239	4/20	0.56

▸	CXCL8	P10145	10/20	0.55

▸	CXCR4	P61073	1/20	0.54

▸	KISS1R	Q969F8	1/20	0.53

▸	CAPN1	P07384	2/20	0.52

▸	CTSB	P07858	2/20	0.52

▸	CTSL	P07711	1/20	0.52

▸	CTSH	P09668	1/20	0.52

▸	CTSS	P25774	1/20	0.52

▸	CTSK	P43235	1/20	0.52

▸	TACR1	P25103	1/20	0.52

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
SCHEMBL7327253	0.93	CCKBR (0.56)	CCKBRCXCL8CXCR4KISS1RCAPN1
SCHEMBL7326493	0.91	CXCR4 (0.68)	CXCR4CTSLCTSHCTSSCTSK
SCHEMBL8183226	0.87	CXCR4 (0.66)	CXCR4CTSLCTSHCTSSCTSK
SCHEMBL8176476	0.87	ERBB2 (0.63)	CCKBRKISS1R
SCHEMBL30310835	0.86	DPP3 (0.57)	CCKBRCAPN1CTSBTACR1
SCHEMBL30827785	0.85	DPP3 (0.60)	CCKBRKISS1RCAPN1CTSB
SCHEMBL30668446	0.85	CXCL8 (0.54)	CCKBRCXCL8CXCR4CTSLCTSH
SCHEMBL30269204	0.85	DPP3 (0.57)	CCKBRKISS1RCAPN1CTSB
SCHEMBL31475675	0.85	CTSL (0.60)	CCKBRCXCL8CXCR4KISS1RCTSL
SCHEMBL29666760	0.85	DPP3 (0.53)	CAPN1CTSB

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
EP-0602194-A1	PEPTIDE INHIBITORS OF INFLAMMATION MEDIATED BY SELECTINS	CENTOCOR, INC. (US)	1994-06-22	—	—	EP	disclosed
WO-1994004568-A1	PEPTIDE INHIBITORS OF INFLAMMATION MEDIATED BY SELECTINS	CENTOCOR, INC. (US)	1994-03-03	—	—	WO	disclosed