SCHEMBL31182809

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 10)

	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

▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

▸	TFPI	P10646	4/20	0.58

▸	CALCR	P30988	5/20	0.56

▸	RAMP3	O60896	1/20	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
SCHEMBL31255177	0.91	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30658329	0.89	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL29903364	0.89	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30176436	0.89	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30437173	0.89	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30607487	0.88	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30495757	0.88	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30658303	0.88	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495647	0.88	NPY2R (0.77)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29732931	0.88	NPY2R (0.68)	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