SCHEMBL8176476

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

nearest known ligand 0.63

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	ERBB2	P04626	1/20	0.63

▸	CCKBR	P32239	12/20	0.55

▸	ERAP2	Q6P179	1/20	0.53

▸	PTPN1	P18031	2/20	0.52

▸	CCKAR	P32238	1/20	0.52

▸	UTS2R	Q9UKP6	1/20	0.51

▸	KISS1R	Q969F8	1/20	0.50

▸	MMP2	P08253	1/20	0.50

▸	MMP9	P14780	1/20	0.50

▸	MMP8	P22894	1/20	0.50

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
SCHEMBL7332565	0.94	ERBB2 (0.62)	ERBB2CCKBRERAP2KISS1R
SCHEMBL8182752	0.92	ERBB2 (0.64)	ERBB2CCKBRERAP2KISS1R
SCHEMBL7329450	0.92	ERBB2 (0.64)	ERBB2CCKBRERAP2KISS1R
SCHEMBL7324578	0.91	ERBB2 (0.64)	ERBB2CCKBRERAP2KISS1R
SCHEMBL30830320	0.90	ERAP2 (0.58)	ERBB2CCKBRERAP2PTPN1CCKAR
SCHEMBL8182763	0.90	ERBB2 (0.67)	ERBB2CCKBRERAP2KISS1R
SCHEMBL31375294	0.89	ERBB2 (0.55)	ERBB2CCKBRERAP2CCKARUTS2R
SCHEMBL7328007	0.88	ERBB2 (0.69)	ERBB2CCKBRKISS1R
SCHEMBL30440373	0.88	ERBB2 (0.56)	ERBB2CCKBRERAP2CCKARMMP2
SCHEMBL29630749	0.87	ERAP2 (0.61)	ERBB2ERAP2MMP2MMP9MMP8

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
US-6111065-A	INHIBIT NEUTROPHIL ADHESION TO P-SELECTIN; ANTIINFLAMMATORY AGENTS; ANTICOAGULANTS; DIAGNOSTICS	CENTOCOR, INC. (US)	2000-08-29	—	—	US	disclosed