SCHEMBL31182974

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 11)

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

▸	GLP1R	P43220	2/20	0.63

▸	CRHR1	P34998	1/20	0.63

▸	CRHR2	Q13324	1/20	0.63

▸	NPY2R	P49146	8/20	0.62

▸	NPY4R	P50391	8/20	0.62

▸	NPY5R	Q15761	8/20	0.62

▸	NPY1R	P25929	6/20	0.62

▸	TFPI	P10646	2/20	0.62

▸	F2	P00734	1/20	0.60

▸	GCGR	P47871	1/20	0.59

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
SCHEMBL30495828	0.91	CALCR (0.74)	CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL30495724	0.90	CALCR (0.66)	CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL30658233	0.90	CALCR (0.71)	CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL31182501	0.90	CALCR (0.71)	CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL30658284	0.90	CALCR (0.76)	CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL30176470	0.90	CALCR (0.73)	CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL31182701	0.89	CALCR (0.73)	CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL31182688	0.89	CALCR (0.71)	CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL30176467	0.89	CALCR (0.65)	CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL30429675	0.88	CALCR (0.69)	CALCRGLP1RCRHR1CRHR2NPY2R

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