SCHEMBL8177162

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

nearest known ligand 0.63

Predicted protein targets (top 7)

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

▸	KISS1R	Q969F8	12/20	0.59

▸	IL23R	Q5VWK5	2/20	0.55

▸	NPBWR1	P48145	1/20	0.55

▸	GHSR	Q92847	2/20	0.55

▸	NPY2R	P49146	1/20	0.55

▸	GLP1R	P43220	2/20	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
SCHEMBL8177170	0.98	ERBB2 (0.65)	ERBB2KISS1RIL23RGHSRNPY2R
SCHEMBL7327449	0.96	ERBB2 (0.61)	ERBB2KISS1RIL23RNPBWR1GLP1R
SCHEMBL30262220	0.89	ERBB2 (0.62)	ERBB2GLP1R
SCHEMBL30116707	0.89	ERBB2 (0.59)	ERBB2KISS1RNPBWR1GHSRGLP1R
SCHEMBL31243564	0.89	KISS1R (0.60)	ERBB2KISS1RGLP1R
SCHEMBL30262173	0.89	ERAP2 (0.56)	ERBB2KISS1RIL23RGHSRNPY2R
SCHEMBL28081101	0.89	GLP1R (0.58)	ERBB2NPBWR1GLP1R
SCHEMBL29427175	0.88	MAGI3 (0.59)	ERBB2KISS1RGLP1R
SCHEMBL30512525	0.88	KISS1R (0.66)	KISS1RIL23R
SCHEMBL29404414	0.88	ERBB2 (0.61)	ERBB2KISS1RIL23RGHSRGLP1R

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