SCHEMBL30148156

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GRPR	P30550	3/20	0.59

▸	NMBR	P28336	2/20	0.59

▸	KISS1R	Q969F8	8/20	0.57

▸	GLP1R	P43220	5/20	0.53

▸	CCKBR	P32239	2/20	0.53

▸	C5AR1	P21730	1/20	0.52

▸	GCGR	P47871	3/20	0.51

▸	GALR2	O43603	1/20	0.51

▸	GALR1	P47211	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
SCHEMBL30148146	0.93	C5AR1 (0.62)	GRPRNMBRKISS1RGLP1RC5AR1
SCHEMBL30429667	0.87	NMBR (0.60)	GRPRNMBRKISS1RGLP1RCCKBR
SCHEMBL30429448	0.86	GALR2 (0.62)	KISS1RGLP1RCCKBRGALR2GALR1
SCHEMBL30648477	0.86	GLP1R (0.67)	GRPRNMBRGLP1RCCKBRC5AR1
SCHEMBL30432529	0.85	C5AR1 (0.67)	GRPRNMBRKISS1RGLP1RCCKBR
SCHEMBL30726588	0.84	GLP1R (0.63)	GRPRNMBRGLP1RCCKBRC5AR1
SCHEMBL29497517	0.84	GRPR (0.57)	GRPRNMBRKISS1RGLP1R
SCHEMBL31366365	0.83	NMBR (0.61)	GRPRNMBRKISS1RGLP1RCCKBR
SCHEMBL30504132	0.83	F2 (0.62)	GRPRNMBRKISS1RGLP1RCCKBR
SCHEMBL29845485	0.83	C5AR1 (0.61)	GRPRNMBRKISS1RC5AR1

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
CN-112409450-B	Affinity agent of TIGIT-IgV and application thereof	郑州大学	2023-01-24	—	—	CN	disclosed