SCHEMBL31182776

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

nearest known ligand 0.82

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.64

▸	NPY4R	P50391	8/20	0.64

▸	NPY5R	Q15761	8/20	0.64

▸	NPY1R	P25929	6/20	0.64

▸	CALCR	P30988	3/20	0.64

▸	CRHR1	P34998	1/20	0.62

▸	CRHR2	Q13324	1/20	0.62

▸	TFPI	P10646	2/20	0.61

▸	GLP1R	P43220	3/20	0.61

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
SCHEMBL30578729	0.91	CALCR (0.73)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578733	0.91	CALCR (0.73)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182555	0.91	CALCR (0.66)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578734	0.91	CALCR (0.73)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658196	0.90	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30843963	0.90	CALCR (0.71)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658322	0.89	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182940	0.89	CALCR (0.59)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182744	0.89	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578732	0.89	NPY2R (0.74)	NPY2RNPY4RNPY5RNPY1RCALCR

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