SCHEMBL31182750

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

nearest known ligand 0.65

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.60

▸	NPY4R	P50391	8/20	0.60

▸	NPY5R	Q15761	8/20	0.60

▸	NPY1R	P25929	6/20	0.60

▸	TFPI	P10646	4/20	0.60

▸	RAMP3	O60896	3/20	0.58

▸	CALCR	P30988	3/20	0.58

▸	IL23R	Q5VWK5	1/20	0.57

▸	KEAP1	Q14145	1/20	0.57

▸	GLP1R	P43220	1/20	0.56

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
SCHEMBL30567709	0.90	TFPI (0.56)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30567703	0.89	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432491	0.89	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182662	0.87	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495778	0.86	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31174223	0.86	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29588486	0.86	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30607327	0.86	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31119607	0.86	IL23R (0.54)	RAMP3CALCRIL23RKEAP1
SCHEMBL30567712	0.86	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RTFPI

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