SCHEMBL31182608

CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.74

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.59

▸	NPY4R	P50391	8/20	0.59

▸	NPY5R	Q15761	8/20	0.59

▸	NPY1R	P25929	6/20	0.59

▸	TFPI	P10646	4/20	0.58

▸	CALCR	P30988	3/20	0.57

▸	KDM1A	O60341	1/20	0.57

▸	MAOB	P27338	1/20	0.57

▸	KDM5A	P29375	1/20	0.57

▸	KDM1B	Q8NB78	1/20	0.57

▸	GLP1R	P43220	2/20	0.56

▸	GCGR	P47871	2/20	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
SCHEMBL31182744	0.91	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495811	0.91	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432168	0.91	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30883207	0.90	RAMP3 (0.60)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658405	0.90	CALCR (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30213470	0.90	GLP1R (0.62)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29827447	0.90	KEAP1 (0.62)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30823265	0.89	CALCR (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182900	0.89	CALCR (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31295738	0.88	TFPI (0.64)	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