SCHEMBL31182909

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.57

▸	NPY4R	P50391	7/20	0.57

▸	NPY5R	Q15761	7/20	0.57

▸	NPY1R	P25929	5/20	0.57

▸	KDM1A	O60341	3/20	0.56

▸	MAOB	P27338	1/20	0.55

▸	KDM5A	P29375	1/20	0.55

▸	KDM1B	Q8NB78	1/20	0.55

▸	TFPI	P10646	6/20	0.54

▸	RAMP3	O60896	2/20	0.51

▸	CALCR	P30988	2/20	0.51

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
SCHEMBL30431765	0.92	NPY2R (0.60)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31182747	0.91	CALCR (0.61)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30495586	0.90	NPY2R (0.60)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432488	0.90	CALCR (0.58)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495746	0.90	NPY2R (0.58)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31182796	0.90	NPY2R (0.54)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31182834	0.89	NPY2R (0.56)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30432851	0.89	RAMP3 (0.60)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31182721	0.89	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29949447	0.89	NPY2R (0.57)	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