SCHEMBL31183023

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

nearest known ligand 0.69

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.66

▸	CRHR1	P34998	1/20	0.66

▸	CRHR2	Q13324	1/20	0.66

▸	NPY2R	P49146	8/20	0.64

▸	NPY4R	P50391	8/20	0.64

▸	NPY5R	Q15761	8/20	0.64

▸	NPY1R	P25929	6/20	0.64

▸	GLP1R	P43220	4/20	0.61

▸	GCGR	P47871	3/20	0.61

▸	TFPI	P10646	1/20	0.58

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
SCHEMBL31182813	0.92	CALCR (0.70)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30495828	0.91	CALCR (0.74)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30658233	0.90	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182688	0.90	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30658283	0.90	CALCR (0.74)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29416142	0.89	CALCR (0.72)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30429675	0.89	CALCR (0.69)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182495	0.89	NPY2R (0.70)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182700	0.89	CALCR (0.68)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182551	0.89	CALCR (0.68)	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