SCHEMBL31182968

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.72

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.65

▸	CRHR1	P34998	1/20	0.64

▸	CRHR2	Q13324	1/20	0.64

▸	NPY2R	P49146	7/20	0.58

▸	NPY4R	P50391	7/20	0.58

▸	NPY5R	Q15761	7/20	0.58

▸	NPY1R	P25929	5/20	0.58

▸	GLP1R	P43220	3/20	0.57

▸	GCGR	P47871	1/20	0.55

▸	GIPR	P48546	1/20	0.55

▸	HCRTR1	O43613	1/20	0.55

▸	HCRTR2	O43614	1/20	0.55

▸	EP300	Q09472	1/20	0.55

▸	HIF1A	Q16665	1/20	0.55

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
SCHEMBL29723075	0.91	CALCR (0.58)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30432567	0.90	CALCR (0.68)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL38663746	0.90	CALCR (0.65)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29723134	0.90	CALCR (0.58)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30495801	0.90	CALCR (0.76)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29949588	0.90	CALCR (0.68)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182922	0.89	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30607450	0.89	CALCR (0.67)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29723129	0.88	CALCR (0.56)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182542	0.88	NPY2R (0.69)	CALCRCRHR1CRHR2NPY2RNPY4R

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