SCHEMBL31182856

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.75

▸	F2	P00734	4/20	0.69

▸	CRHR1	P34998	1/20	0.65

▸	CRHR2	Q13324	1/20	0.65

▸	HCRTR1	O43613	1/20	0.65

▸	HCRTR2	O43614	1/20	0.65

▸	CCKBR	P32239	2/20	0.63

▸	GLP1R	P43220	2/20	0.63

▸	NPY2R	P49146	3/20	0.60

▸	NPY4R	P50391	3/20	0.60

▸	NPY5R	Q15761	3/20	0.60

▸	NPY1R	P25929	2/20	0.60

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
SCHEMBL30576931	0.93	F2 (0.73)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30712965	0.91	CALCR (0.71)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30686830	0.90	CALCR (0.75)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30686824	0.90	CALCR (0.75)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30686832	0.90	CALCR (0.75)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30686826	0.90	CALCR (0.75)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30686828	0.90	CALCR (0.75)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30686817	0.90	CALCR (0.75)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30498570	0.89	CALCR (0.80)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30432534	0.89	CALCR (0.76)	CALCRF2CRHR1CRHR2HCRTR1

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