SCHEMBL31182578

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC

nearest known ligand 0.66

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CRHR1	P34998	1/20	0.66

▸	CRHR2	Q13324	1/20	0.66

▸	CALCR	P30988	5/20	0.65

▸	CCKBR	P32239	2/20	0.61

▸	GLP1R	P43220	2/20	0.61

▸	HCRTR1	O43613	1/20	0.61

▸	HCRTR2	O43614	1/20	0.61

▸	F2	P00734	4/20	0.60

▸	NPY2R	P49146	6/20	0.58

▸	NPY4R	P50391	6/20	0.58

▸	NPY5R	Q15761	6/20	0.58

▸	NPY1R	P25929	4/20	0.58

▸	RAMP1	O60894	1/20	0.57

▸	RAMP2	O60895	1/20	0.57

▸	RAMP3	O60896	1/20	0.57

▸	CALCRL	Q16602	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
SCHEMBL30712965	0.89	CALCR (0.71)	CRHR1CRHR2CALCRCCKBRGLP1R
SCHEMBL30495614	0.89	CRHR1 (0.67)	CRHR1CRHR2CALCRCCKBRGLP1R
SCHEMBL30432496	0.87	CALCR (0.67)	CRHR1CRHR2CALCRCCKBRGLP1R
SCHEMBL29884239	0.87	CALCR (0.69)	CRHR1CRHR2CALCRCCKBRGLP1R
SCHEMBL31182828	0.87	CALCR (0.71)	CRHR1CRHR2CALCRCCKBRGLP1R
SCHEMBL30431276	0.86	CALCR (0.64)	CRHR1CRHR2CALCRCCKBRGLP1R
SCHEMBL31182553	0.86	CALCR (0.79)	CRHR1CRHR2CALCRCCKBRGLP1R
SCHEMBL31182521	0.86	F2 (0.73)	CRHR1CRHR2CALCRCCKBRGLP1R
SCHEMBL31182543	0.86	CALCR (0.79)	CRHR1CRHR2CALCRCCKBRGLP1R
SCHEMBL30431904	0.86	CALCR (0.74)	CRHR1CRHR2CALCRGLP1RHCRTR1

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