SCHEMBL8973584

CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)C(C)C)[C@@H](C)O

nearest known ligand 0.53

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.53

▸	OPRM1	P35372	2/20	0.51

▸	OPRD1	P41143	2/20	0.51

▸	OPRK1	P41145	1/20	0.51

▸	GLP1R	P43220	4/20	0.50

▸	SCTR	P47872	1/20	0.50

▸	CALCR	P30988	4/20	0.48

▸	GRPR	P30550	1/20	0.48

▸	KISS1R	Q969F8	1/20	0.47

▸	CRHR1	P34998	1/20	0.47

▸	CRHR2	Q13324	1/20	0.47

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
SCHEMBL8973577	1.00	TFPI (0.53)	TFPIOPRM1OPRD1OPRK1GLP1R
SCHEMBL30342536	0.87	BACE1 (0.51)	TFPIOPRM1OPRD1GLP1RSCTR
SCHEMBL30501956	0.86	OPRM1 (0.59)	OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL31721844	0.86	OPRM1 (0.53)	TFPIOPRM1OPRD1OPRK1GLP1R
SCHEMBL31721709	0.86	OPRM1 (0.49)	TFPIOPRM1OPRD1OPRK1GLP1R
SCHEMBL29566290	0.85	GLP1R (0.60)	GLP1RSCTRCALCRCRHR1CRHR2
SCHEMBL31005062	0.84	GLP1R (0.55)	OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL8973366	0.84	TFPI (0.64)	TFPIOPRM1OPRD1OPRK1KISS1R
SCHEMBL8973360	0.84	TFPI (0.64)	TFPIOPRM1OPRD1OPRK1KISS1R
SCHEMBL29521428	0.83	CALCR (0.58)	GLP1RCALCRCRHR1CRHR2

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-5486595-A	Tumor necrosis factor inhibitors	CENTECOR, INC. (US)	1996-01-23	—	—	US	disclosed