SCHEMBL31182574

CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.63

▸	APLNR	P35414	2/20	0.63

▸	KDM1A	O60341	3/20	0.61

▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

▸	RAMP3	O60896	1/20	0.59

▸	NPY2R	P49146	6/20	0.59

▸	NPY4R	P50391	6/20	0.59

▸	NPY5R	Q15761	6/20	0.59

▸	NPY1R	P25929	4/20	0.59

▸	HCRTR1	O43613	1/20	0.58

▸	HCRTR2	O43614	1/20	0.58

▸	MAOB	P27338	1/20	0.57

▸	KDM5A	P29375	1/20	0.57

▸	KDM1B	Q8NB78	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
SCHEMBL29410246	0.91	GLP1R (0.62)	CALCRAPLNRKDM1ANPY2RNPY4R
SCHEMBL31182520	0.88	KDM1A (0.67)	CALCRKDM1AMAPK8MAPK9MAPK10
SCHEMBL30737614	0.88	KDM1A (0.69)	CALCRKDM1AMAPK8MAPK9MAPK10
SCHEMBL30737611	0.88	KDM1A (0.69)	CALCRKDM1AMAPK8MAPK9MAPK10
SCHEMBL30737437	0.88	KDM1A (0.69)	CALCRKDM1AMAPK8MAPK9MAPK10
SCHEMBL30658357	0.88	CALCR (0.75)	CALCRAPLNRRAMP3NPY2RNPY4R
SCHEMBL31182727	0.88	KDM1A (0.65)	CALCRKDM1ANPY2RNPY4RNPY5R
SCHEMBL30737601	0.88	KDM1A (0.69)	CALCRKDM1AMAPK8MAPK9MAPK10
SCHEMBL31464889	0.88	KDM1A (0.65)	CALCRAPLNRKDM1ARAMP3NPY2R
SCHEMBL30432425	0.87	KDM1A (0.60)	CALCRKDM1AMAPK8MAPK9MAPK10

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