SCHEMBL31182738

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

nearest known ligand 0.71

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.67

▸	F2	P00734	4/20	0.66

▸	CRHR1	P34998	1/20	0.63

▸	CRHR2	Q13324	1/20	0.63

▸	C5AR1	P21730	1/20	0.63

▸	NPY2R	P49146	7/20	0.62

▸	NPY4R	P50391	7/20	0.62

▸	NPY5R	Q15761	7/20	0.62

▸	NPY1R	P25929	5/20	0.62

▸	HCRTR1	O43613	1/20	0.62

▸	HCRTR2	O43614	1/20	0.62

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
SCHEMBL30567754	0.93	C5AR1 (0.65)	CALCRF2CRHR1CRHR2C5AR1
SCHEMBL30932075	0.92	CALCR (0.72)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30436896	0.92	CALCR (0.68)	CALCRC5AR1NPY2RNPY4RNPY5R
SCHEMBL31182498	0.92	CALCR (0.70)	CALCRF2CRHR1CRHR2C5AR1
SCHEMBL30432646	0.92	CALCR (0.67)	CALCRF2C5AR1NPY2RNPY4R
SCHEMBL29592959	0.91	CALCR (0.79)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30176470	0.91	CALCR (0.73)	CALCRF2CRHR1CRHR2NPY2R
SCHEMBL30844080	0.91	CALCR (0.67)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31182519	0.91	CALCR (0.68)	CALCRF2C5AR1NPY2RNPY4R
SCHEMBL30495758	0.91	CALCR (0.72)	CALCRF2CRHR1CRHR2NPY2R

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