SCHEMBL31182948

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.63

▸	MAPK9	P45984	1/20	0.63

▸	MAPK10	P53779	1/20	0.63

▸	KEAP1	Q14145	1/20	0.59

▸	GLP1R	P43220	5/20	0.57

▸	ECE1	P42892	1/20	0.56

▸	MUS81	Q96NY9	1/20	0.56

▸	VIPR1	P32241	2/20	0.56

▸	NPY2R	P49146	6/20	0.56

▸	NPY4R	P50391	6/20	0.56

▸	NPY5R	Q15761	6/20	0.56

▸	NPY1R	P25929	4/20	0.56

▸	VIPR2	P41587	1/20	0.56

▸	PTH1R	Q03431	2/20	0.55

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
SCHEMBL30824283	0.88	KEAP1 (0.71)	MAPK8MAPK9MAPK10KEAP1GLP1R
SCHEMBL29678901	0.88	MAPK8 (0.57)	MAPK8MAPK9MAPK10KEAP1GLP1R
SCHEMBL30906522	0.88	MAPK8 (0.67)	MAPK8MAPK9MAPK10KEAP1GLP1R
SCHEMBL29679527	0.88	MAPK8 (0.66)	MAPK8MAPK9MAPK10KEAP1GLP1R
SCHEMBL29679016	0.88	MAPK8 (0.57)	MAPK8MAPK9MAPK10KEAP1GLP1R
SCHEMBL30906421	0.87	KEAP1 (0.68)	MAPK8MAPK9MAPK10KEAP1GLP1R
SCHEMBL30726561	0.87	KEAP1 (0.68)	MAPK8MAPK9MAPK10KEAP1GLP1R
SCHEMBL31182865	0.87	MAPK8 (0.73)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30429336	0.87	VIPR1 (0.65)	GLP1RECE1MUS81VIPR1VIPR2
SCHEMBL30906548	0.87	KEAP1 (0.72)	MAPK8MAPK9MAPK10KEAP1GLP1R

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