SCHEMBL8894013

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.58

▸	IL23R	Q5VWK5	4/20	0.55

▸	NPY4R	P50391	5/20	0.54

▸	NPY5R	Q15761	4/20	0.54

▸	NPY1R	P25929	3/20	0.54

▸	NPY2R	P49146	1/20	0.54

▸	GLP1R	P43220	3/20	0.54

▸	F2	P00734	4/20	0.53

▸	BECN1	Q14457	2/20	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
SCHEMBL8893999	0.95	TFPI (0.53)	TFPIIL23RNPY4RGLP1RF2
SCHEMBL8893440	0.95	TFPI (0.57)	TFPIIL23RGLP1RF2
SCHEMBL8895830	0.95	TFPI (0.57)	TFPIIL23RGLP1RF2
SCHEMBL29836292	0.89	GLP1R (0.60)	GLP1R
SCHEMBL30168791	0.89	GLP1R (0.59)	GLP1R
SCHEMBL29836187	0.88	GLP1R (0.63)	GLP1R
SCHEMBL29836537	0.88	GLP1R (0.63)	GLP1R
SCHEMBL8896224	0.88	GLP1R (0.53)	TFPIGLP1R
SCHEMBL29836519	0.88	GLP1R (0.59)	GLP1R
SCHEMBL30168743	0.88	GLP1R (0.63)	GLP1R

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-5618785-A	ANTIISCHEMIC AGENTS, ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS	CENTOCOR, INC. (US)	1997-04-08	—	—	US	disclosed
WO-1995014787-A1	PEPTIDE INHIBITORS OF SELECTING BINDING	CENTOCOR, INC. (US)	1995-06-01	—	—	WO	disclosed