SCHEMBL31182443

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.78

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	10/20	0.67

▸	NPY1R	P25929	10/20	0.67

▸	NPY4R	P50391	8/20	0.67

▸	NPY5R	Q15761	8/20	0.67

▸	CALCR	P30988	4/20	0.67

▸	EP300	Q09472	1/20	0.62

▸	HIF1A	Q16665	1/20	0.62

▸	NMUR2	Q9GZQ4	1/20	0.61

▸	NMUR1	Q9HB89	1/20	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
SCHEMBL22263594	0.92	NPY2R (0.67)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30843963	0.91	CALCR (0.71)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30081023	0.90	CALCR (0.61)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL29779564	0.89	NPY2R (0.65)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30658292	0.89	CALCR (0.71)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30999376	0.89	CALCR (0.68)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30578733	0.89	CALCR (0.73)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30578729	0.89	CALCR (0.73)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30578734	0.89	CALCR (0.73)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30883234	0.88	NPY2R (0.65)	NPY2RNPY1RNPY4RNPY5RCALCR

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