SCHEMBL31182911

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

nearest known ligand 0.73

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.65

▸	OPRD1	P41143	6/20	0.61

▸	OPRM1	P35372	2/20	0.61

▸	OPRK1	P41145	2/20	0.61

▸	F2	P00734	1/20	0.60

▸	NPY2R	P49146	5/20	0.60

▸	NPY4R	P50391	5/20	0.60

▸	NPY5R	Q15761	5/20	0.60

▸	NPY1R	P25929	3/20	0.60

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

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
SCHEMBL29811064	0.94	CALCR (0.66)	CALCROPRD1F2NPY2RNPY4R
SCHEMBL29679500	0.91	CALCR (0.64)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30567778	0.91	CALCR (0.66)	CALCROPRD1OPRM1OPRK1NPY2R
SCHEMBL30429255	0.91	CALCR (0.66)	CALCROPRD1OPRM1OPRK1NPY2R
SCHEMBL31182573	0.91	CALCR (0.66)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL31683251	0.90	OPRD1 (0.60)	CALCROPRD1OPRM1OPRK1
SCHEMBL30567772	0.90	CALCR (0.74)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30607403	0.90	CALCR (0.67)	CALCROPRD1OPRM1OPRK1NPY2R
SCHEMBL30712938	0.90	CALCR (0.68)	CALCROPRD1OPRM1OPRK1NPY2R
SCHEMBL29461428	0.90	NTSR1 (0.59)	CALCROPRD1NPY2RNPY4RNPY5R

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