SCHEMBL31183008

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.64

▸	GLP1R	P43220	14/20	0.60

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

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
SCHEMBL30495620	0.93	GLP1R (0.62)	CALCRGLP1R
SCHEMBL31000934	0.92	CALCR (0.59)	CALCRGLP1RCRHR1CRHR2
SCHEMBL29416053	0.91	CALCR (0.60)	CALCRGLP1RCRHR1CRHR2
SCHEMBL30495835	0.90	CALCR (0.61)	CALCRGLP1RCRHR1CRHR2
SCHEMBL29903350	0.90	CALCR (0.63)	CALCRGLP1RCRHR1CRHR2
SCHEMBL31000893	0.89	CALCR (0.67)	CALCRGLP1RCRHR1CRHR2
SCHEMBL30524358	0.89	GLP1R (0.62)	CALCRGLP1RCRHR1CRHR2
SCHEMBL30658319	0.89	CALCR (0.73)	CALCRGLP1RCRHR1CRHR2
SCHEMBL31385224	0.88	VIPR1 (0.63)	CALCRGLP1R
SCHEMBL30398630	0.88	GLP1R (0.70)	CALCRGLP1RCRHR1CRHR2

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