SCHEMBL31182467

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.73

▸	APLNR	P35414	2/20	0.65

▸	CRHR1	P34998	1/20	0.64

▸	CRHR2	Q13324	1/20	0.64

▸	GLP1R	P43220	9/20	0.64

▸	CXCR4	P61073	1/20	0.63

▸	GCGR	P47871	8/20	0.62

▸	GIPR	P48546	5/20	0.62

▸	HCRTR1	O43613	1/20	0.62

▸	HCRTR2	O43614	1/20	0.62

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
SCHEMBL30658339	0.93	CALCR (0.73)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL29895442	0.93	CALCR (0.73)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL6437853	0.93	CALCR (0.73)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL30658226	0.92	CALCR (0.77)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL31182976	0.91	CALCR (0.70)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL31182932	0.91	CALCR (0.75)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL31168252	0.91	CALCR (0.73)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL30565138	0.90	CALCR (0.68)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL30565140	0.90	CALCR (0.68)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL31182915	0.90	CALCR (0.72)	CALCRCRHR1CRHR2GLP1RGCGR

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