SCHEMBL31182477

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)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(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.64

▸	C5AR1	P21730	1/20	0.62

▸	NPY2R	P49146	7/20	0.60

▸	NPY4R	P50391	7/20	0.60

▸	NPY5R	Q15761	7/20	0.60

▸	NPY1R	P25929	5/20	0.60

▸	TFPI	P10646	4/20	0.60

▸	F2	P00734	3/20	0.59

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
SCHEMBL30495678	0.91	C5AR1 (0.66)	APLNRC5AR1NPY2RNPY4RNPY5R
SCHEMBL31182722	0.89	GLP1R (0.62)	NPY2RNPY4RNPY5RNPY1R
SCHEMBL29526390	0.89	APLNR (0.64)	APLNRC5AR1NPY2RNPY4RNPY5R
SCHEMBL30767705	0.88	MC4R (0.64)	APLNRC5AR1NPY2RNPY4RNPY5R
SCHEMBL30495758	0.88	CALCR (0.72)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31688333	0.88	APLNR (0.65)	APLNRC5AR1TFPIF2
SCHEMBL29525147	0.88	APLNR (0.63)	APLNRC5AR1NPY2RNPY4RNPY5R
SCHEMBL30433449	0.88	TFPI (0.61)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL30262200	0.88	GLP1R (0.60)	APLNRC5AR1NPY2RNPY4RNPY5R
SCHEMBL30542985	0.88	C5AR1 (0.60)	APLNRC5AR1NPY2RNPY4RNPY5R

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