SCHEMBL31182991

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.72

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.69

▸	GLP1R	P43220	12/20	0.69

▸	KEAP1	Q14145	1/20	0.66

▸	GCGR	P47871	8/20	0.66

▸	GIPR	P48546	5/20	0.66

▸	NPY1R	P25929	1/20	0.64

▸	NPY2R	P49146	1/20	0.64

▸	NPY4R	P50391	1/20	0.64

▸	NPY5R	Q15761	1/20	0.64

▸	CCKBR	P32239	3/20	0.64

▸	CXCR4	P61073	1/20	0.64

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
SCHEMBL30466128	0.93	CALCR (0.70)	CALCRGLP1RKEAP1GCGRGIPR
SCHEMBL29509179	0.93	CALCR (0.74)	CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL30771981	0.92	CALCR (0.77)	CALCRGLP1RKEAP1GCGRGIPR
SCHEMBL30466127	0.92	GLP1R (0.69)	CALCRGLP1RKEAP1GCGRGIPR
SCHEMBL30466130	0.92	GLP1R (0.69)	CALCRGLP1RKEAP1GCGRGIPR
SCHEMBL29595302	0.91	CALCR (0.74)	CALCRGLP1RKEAP1GCGRGIPR
SCHEMBL31202689	0.91	CALCR (0.73)	CALCRGLP1RKEAP1GCGRGIPR
SCHEMBL30495625	0.91	CXCR4 (0.67)	CALCRGLP1RGCGRGIPRNPY1R
SCHEMBL29843716	0.91	CALCR (0.76)	CALCRGLP1RKEAP1GCGRNPY1R
SCHEMBL31182484	0.91	KEAP1 (0.72)	CALCRGLP1RKEAP1GCGRGIPR

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