SCHEMBL8893440

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)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 0.57

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.57

▸	IL23R	Q5VWK5	6/20	0.54

▸	RXFP1	Q9HBX9	1/20	0.54

▸	GLP1R	P43220	4/20	0.53

▸	F2	P00734	4/20	0.52

▸	PTH1R	Q03431	1/20	0.52

▸	KEAP1	Q14145	2/20	0.52

▸	SCTR	P47872	1/20	0.51

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
SCHEMBL8895830	1.00	TFPI (0.57)	TFPIIL23RRXFP1GLP1RF2
SCHEMBL8894013	0.95	TFPI (0.58)	TFPIIL23RGLP1RF2
SCHEMBL8893999	0.94	TFPI (0.53)	TFPIIL23RRXFP1GLP1RF2
SCHEMBL8896224	0.93	GLP1R (0.53)	TFPIGLP1RPTH1RKEAP1SCTR
SCHEMBL29445552	0.91	GLP1R (0.55)	TFPIGLP1RPTH1RKEAP1SCTR
SCHEMBL30419550	0.91	GLP1R (0.55)	TFPIGLP1RPTH1RKEAP1SCTR
SCHEMBL31238574	0.88	IL23R (0.63)	IL23RRXFP1GLP1RPTH1R
SCHEMBL18116796	0.86	TFPI (0.51)	TFPIIL23RGLP1RF2SCTR
SCHEMBL31110539	0.86	GLP1R (0.54)	GLP1RSCTR
SCHEMBL10169051	0.86	TFPI (0.53)	TFPIRXFP1GLP1RF2PTH1R

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