SCHEMBL31182992

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

nearest known ligand 0.66

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.66

▸	NPY4R	P50391	8/20	0.66

▸	NPY5R	Q15761	8/20	0.66

▸	NPY1R	P25929	6/20	0.66

▸	TFPI	P10646	4/20	0.63

▸	CALCR	P30988	5/20	0.60

▸	CXCR4	P61073	1/20	0.60

▸	RAMP3	O60896	3/20	0.60

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
SCHEMBL30423109	0.90	APLNR (0.60)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30262202	0.90	CXCR4 (0.59)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29827447	0.90	KEAP1 (0.62)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31461960	0.89	MAPK8 (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30658227	0.89	CALCR (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30429119	0.89	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30640887	0.89	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30607391	0.89	CXCR4 (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30668489	0.89	CALCR (0.63)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182845	0.89	MAPK8 (0.65)	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