SCHEMBL31182879

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

nearest known ligand 0.63

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	16/20	0.61

▸	CALCR	P30988	16/20	0.61

▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

▸	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
SCHEMBL29430214	0.91	MAPK8 (0.61)	RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL29430209	0.90	MAPK8 (0.64)	RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL30423109	0.89	APLNR (0.60)	RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL30964513	0.89	RAMP3 (0.64)	RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL31034480	0.88	RAMP3 (0.63)	RAMP3CALCRKEAP1
SCHEMBL29531542	0.88	NPY2R (0.63)	CALCR
SCHEMBL31182566	0.88	TFPI (0.68)	CALCRKEAP1
SCHEMBL31754009	0.88	MAPK8 (0.65)	RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL30974066	0.88	NMUR2 (0.60)	RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL31281288	0.87	MAPK8 (0.60)	RAMP3CALCRMAPK8MAPK9MAPK10

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