SCHEMBL31182884

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

nearest known ligand 0.71

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.65

▸	NPY4R	P50391	8/20	0.65

▸	NPY5R	Q15761	8/20	0.65

▸	NPY1R	P25929	6/20	0.65

▸	TFPI	P10646	4/20	0.60

▸	CALCR	P30988	2/20	0.59

▸	PTH1R	Q03431	2/20	0.59

▸	RAMP3	O60896	1/20	0.59

▸	GLP1R	P43220	2/20	0.58

▸	MAPK8	P45983	1/20	0.58

▸	MAPK9	P45984	1/20	0.58

▸	MAPK10	P53779	1/20	0.58

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
SCHEMBL29349981	0.92	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182800	0.91	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30176479	0.91	MAPK8 (0.57)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30437173	0.91	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30429119	0.90	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30712955	0.90	NPY2R (0.58)	NPY2RNPY4RNPY5RNPY1RTFPI
Cathelicidin SCHEMBL29350781	0.90	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL11150031	0.89	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30607435	0.89	NPY2R (0.76)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495701	0.89	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI

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-20240350475-A1	TRIGONELLINE MITIGATES CARDIOMYOPATHY CAUSED BY SARS-COV-2 SPIKE PROTEIN UNDER OBESITY	UNIVERSITY OF SOUTH CAROLINA (US)	2024-10-24	—	—	US	disclosed