SCHEMBL31182845

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.65

▸	MAPK9	P45984	1/20	0.65

▸	MAPK10	P53779	1/20	0.65

▸	NPY2R	P49146	8/20	0.62

▸	NPY4R	P50391	8/20	0.62

▸	NPY5R	Q15761	8/20	0.62

▸	NPY1R	P25929	6/20	0.62

▸	TFPI	P10646	4/20	0.60

▸	CALCR	P30988	4/20	0.59

▸	KEAP1	Q14145	1/20	0.57

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
SCHEMBL31461960	0.89	MAPK8 (0.67)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31182992	0.89	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30883228	0.87	MAPK8 (0.61)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29430209	0.87	MAPK8 (0.64)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30198913	0.87	KEAP1 (0.63)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30607289	0.86	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30906523	0.86	MAPK8 (0.62)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31182559	0.86	NPY2R (0.69)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30906494	0.86	NPY2R (0.62)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31255177	0.86	NPY2R (0.67)	MAPK8MAPK9MAPK10NPY2RNPY4R

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