SCHEMBL9437246

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR2	P41587	10/20	0.69

▸	VIPR1	P32241	9/20	0.68

▸	TFPI	P10646	1/20	0.57

▸	GLP1R	P43220	2/20	0.57

▸	ECE1	P42892	1/20	0.57

▸	MUS81	Q96NY9	1/20	0.57

▸	GCGR	P47871	1/20	0.56

▸	GIPR	P48546	1/20	0.56

▸	NPY2R	P49146	3/20	0.56

▸	NPY4R	P50391	3/20	0.56

▸	NPY5R	Q15761	3/20	0.56

▸	NPY1R	P25929	2/20	0.56

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
SCHEMBL31255179	0.94	VIPR2 (0.69)	VIPR2VIPR1TFPIGLP1RECE1
SCHEMBL30929981	0.91	VIPR2 (0.70)	VIPR2VIPR1TFPIGLP1RECE1
SCHEMBL30929948	0.91	VIPR2 (0.70)	VIPR2VIPR1TFPIGLP1RECE1
SCHEMBL31277042	0.91	VIPR2 (0.66)	VIPR2VIPR1TFPIGLP1RECE1
SCHEMBL29453347	0.91	VIPR2 (0.67)	VIPR2VIPR1TFPIGLP1RGCGR
SCHEMBL29453351	0.91	VIPR2 (0.67)	VIPR2VIPR1TFPIGLP1RGCGR
SCHEMBL29453325	0.91	VIPR2 (0.67)	VIPR2VIPR1TFPIGLP1RGCGR
SCHEMBL29453344	0.91	VIPR2 (0.67)	VIPR2VIPR1TFPIGLP1RGCGR
SCHEMBL29453322	0.91	VIPR2 (0.67)	VIPR2VIPR1TFPIGLP1RGCGR
SCHEMBL29453326	0.91	VIPR2 (0.67)	VIPR2VIPR1TFPIGLP1RGCGR

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
EP-0584244-A1	PEPTIDE INHIBITORS OF INFLAMMATION	THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US)	1994-03-02	—	—	EP	disclosed
WO-1992020708-A1	PEPTIDE INHIBITORS OF INFLAMMATION	BOARD OF REGENTS FOR THE UNIVERSITY OF OKLAHOMA (US)	1992-11-26	—	—	WO	disclosed