SCHEMBL31182572

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

nearest known ligand 0.66

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	10/20	0.62

▸	NPY1R	P25929	10/20	0.62

▸	NPY4R	P50391	8/20	0.62

▸	NPY5R	Q15761	8/20	0.62

▸	MAPK8	P45983	1/20	0.57

▸	MAPK9	P45984	1/20	0.57

▸	MAPK10	P53779	1/20	0.57

▸	CXCR4	P61073	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
SCHEMBL30906392	0.90	NPY2R (0.61)	NPY2RNPY1RNPY4RNPY5RMAPK8
SCHEMBL30906560	0.90	NPY2R (0.61)	NPY2RNPY1RNPY4RNPY5RMAPK8
SCHEMBL31182450	0.90	NPY2R (0.66)	NPY2RNPY1RNPY4RNPY5R
SCHEMBL30432822	0.89	MAPK8 (0.62)	NPY2RNPY1RNPY4RNPY5RMAPK8
SCHEMBL30726570	0.89	NPY2R (0.62)	NPY2RNPY1RNPY4RNPY5RMAPK8
SCHEMBL30495779	0.88	NPY2R (0.65)	NPY2RNPY1RNPY4RNPY5RMAPK8
SCHEMBL30436596	0.88	MAPK8 (0.65)	NPY2RNPY1RNPY4RNPY5RMAPK8
SCHEMBL30824282	0.88	NPY2R (0.63)	NPY2RNPY1RNPY4RNPY5RMAPK8
SCHEMBL30804676	0.88	NPY2R (0.63)	NPY2RNPY1RNPY4RNPY5R
SCHEMBL31020752	0.88	NPY2R (0.64)	NPY2RNPY1RNPY4RNPY5R

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