SCHEMBL31182798

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

nearest known ligand 0.66

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.64

▸	NPY2R	P49146	10/20	0.61

▸	NPY4R	P50391	8/20	0.61

▸	NPY5R	Q15761	8/20	0.61

▸	NPY1R	P25929	8/20	0.61

▸	MAPK8	P45983	1/20	0.59

▸	MAPK9	P45984	1/20	0.59

▸	MAPK10	P53779	1/20	0.59

▸	HCRTR1	O43613	1/20	0.58

▸	HCRTR2	O43614	1/20	0.58

▸	TFPI	P10646	1/20	0.55

▸	CCKBR	P32239	2/20	0.55

▸	GLP1R	P43220	2/20	0.55

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
SCHEMBL29416782	0.92	CALCR (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30437207	0.92	CALCR (0.61)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182783	0.91	CALCR (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182773	0.91	CALCR (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30906477	0.91	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567780	0.90	F2 (0.60)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567772	0.90	CALCR (0.74)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29868039	0.90	CALCR (0.70)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30436229	0.89	NPY2R (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30607467	0.89	CALCR (0.64)	CALCRNPY2RNPY4RNPY5RNPY1R

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