SCHEMBL8182763

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

nearest known ligand 0.67

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	ERBB2	P04626	1/20	0.67

▸	CCKBR	P32239	12/20	0.55

▸	ERAP2	Q6P179	1/20	0.51

▸	MAGI3	Q5TCQ9	1/20	0.51

▸	KISS1R	Q969F8	3/20	0.50

▸	GHSR	Q92847	1/20	0.49

▸	IL23R	Q5VWK5	1/20	0.49

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
SCHEMBL7329450	0.98	ERBB2 (0.64)	ERBB2CCKBRERAP2KISS1R
SCHEMBL8182752	0.98	ERBB2 (0.64)	ERBB2CCKBRERAP2KISS1R
SCHEMBL7324578	0.96	ERBB2 (0.64)	ERBB2CCKBRERAP2KISS1RGHSR
SCHEMBL7332565	0.91	ERBB2 (0.62)	ERBB2CCKBRERAP2KISS1RGHSR
SCHEMBL8176476	0.90	ERBB2 (0.63)	ERBB2CCKBRERAP2KISS1R
SCHEMBL30574266	0.88	ERBB2 (0.56)	ERBB2CCKBRERAP2GHSR
SCHEMBL7328007	0.88	ERBB2 (0.69)	ERBB2CCKBRMAGI3KISS1RIL23R
SCHEMBL30772214	0.87	ERAP2 (0.64)	ERBB2ERAP2MAGI3
SCHEMBL29354796	0.86	ERBB2 (0.54)	ERBB2CCKBRERAP2KISS1RGHSR
SCHEMBL7327253	0.86	CCKBR (0.56)	ERBB2CCKBRKISS1R

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