SCHEMBL16455571

CCOC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CNC(N)=O)NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.45

▸	KISS1R	Q969F8	1/20	0.44

▸	NPY4R	P50391	11/20	0.43

▸	NPY1R	P25929	8/20	0.43

▸	NPY5R	Q15761	8/20	0.43

▸	NPY2R	P49146	5/20	0.43

▸	OPRM1	P35372	2/20	0.42

▸	OPRK1	P41145	2/20	0.42

▸	APLNR	P35414	1/20	0.42

▸	GLP1R	P43220	1/20	0.42

▸	SCTR	P47872	1/20	0.42

▸	IL23R	Q5VWK5	2/20	0.42

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
SCHEMBL18116796	0.93	TFPI (0.51)	TFPIKISS1RNPY4RNPY1RNPY5R
SCHEMBL18388624	0.87	APLNR (0.47)	TFPINPY4RNPY1RNPY5RAPLNR
SCHEMBL16455222	0.86	GLP1R (0.51)	TFPIAPLNRGLP1RSCTR
SCHEMBL31388269	0.81	NPY4R (0.63)	KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL6035701	0.80	OPRM1 (0.58)	TFPIKISS1RNPY4RNPY1RNPY5R
SCHEMBL8893440	0.80	TFPI (0.57)	TFPIGLP1RSCTRIL23R
SCHEMBL8895830	0.80	TFPI (0.57)	TFPIGLP1RSCTRIL23R
SCHEMBL31279762	0.80	GNPAT (0.52)	KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL31222393	0.79	NPY4R (0.61)	NPY4RNPY1RNPY5RNPY2ROPRM1
SCHEMBL31267994	0.79	NPY4R (0.54)	KISS1RNPY4RNPY1RNPY5RNPY2R

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-20150044189-A1	HYBRID POLYMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME	NEW YORK UNIVERSITY	2015-02-12	—	—	US	disclosed