SCHEMBL31182647

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.72

▸	NPY2R	P49146	1/20	0.72

▸	NPY4R	P50391	1/20	0.72

▸	NPY5R	Q15761	1/20	0.72

▸	GLP1R	P43220	12/20	0.67

▸	CALCR	P30988	3/20	0.66

▸	CCKBR	P32239	3/20	0.65

▸	CXCR4	P61073	2/20	0.65

▸	GCGR	P47871	1/20	0.64

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
SCHEMBL29368944	0.93	NPY1R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29509179	0.92	CALCR (0.74)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658320	0.91	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658352	0.91	CXCR4 (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658403	0.91	CXCR4 (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31202689	0.91	CALCR (0.73)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658214	0.91	NPY2R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30471490	0.91	GLP1R (0.67)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31217658	0.91	CALCR (0.75)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30176459	0.91	CALCR (0.69)	NPY1RNPY2RNPY4RNPY5RGLP1R

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