SCHEMBL9070287

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(N)=O)C(C)C)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	6/20	0.65

▸	NPY2R	P49146	8/20	0.64

▸	NPY4R	P50391	8/20	0.64

▸	NPY5R	Q15761	8/20	0.64

▸	NPY1R	P25929	6/20	0.64

▸	KEAP1	Q14145	1/20	0.61

▸	EP300	Q09472	1/20	0.59

▸	HIF1A	Q16665	1/20	0.59

▸	MAPK8	P45983	1/20	0.59

▸	MAPK9	P45984	1/20	0.59

▸	MAPK10	P53779	1/20	0.59

▸	RAMP3	O60896	1/20	0.57

▸	CALCR	P30988	1/20	0.57

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
SCHEMBL31336977	0.87	TFPI (0.64)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29434542	0.87	TFPI (0.68)	TFPINPY2RNPY4RNPY5REP300
SCHEMBL17722481	0.86	TFPI (0.66)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL8814395	0.86	NPY2R (0.71)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29479776	0.86	MAPK8 (0.62)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30607289	0.86	NPY2R (0.67)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30712935	0.86	NPY2R (0.64)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30887974	0.86	KEAP1 (0.64)	TFPIKEAP1EP300HIF1AMAPK8
SCHEMBL30137653	0.86	TFPI (0.69)	TFPI
SCHEMBL31182752	0.86	NPY2R (0.69)	TFPINPY2RNPY4RNPY5RNPY1R

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-5519000-A	OLIGOPEPTIDE	CENTECOR, INC. (US)	1996-05-21	—	—	US	disclosed
WO-1995026744-A1	TUMOR NECROSIS FACTOR INHIBITORS	CENTOCOR, INC. (US)	1995-10-12	—	—	WO	disclosed