SCHEMBL31182906

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](C)N)C(C)(C)C)[C@@H](C)O)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](C(=O)NCC(=O)O)C(C)C)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.65

▸	NPY2R	P49146	1/20	0.65

▸	NPY4R	P50391	1/20	0.65

▸	NPY5R	Q15761	1/20	0.65

▸	CXCR4	P61073	7/20	0.62

▸	CALCA	P06881	2/20	0.62

▸	TFPI	P10646	4/20	0.59

▸	GLP1R	P43220	4/20	0.59

▸	GIPR	P48546	1/20	0.58

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
SCHEMBL31183030	0.89	NPY1R (0.67)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30824296	0.88	NPY2R (0.74)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658257	0.88	GLP1R (0.67)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30423138	0.88	CXCR4 (0.69)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182815	0.87	NPY2R (0.73)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658196	0.87	NPY2R (0.62)	NPY1RNPY2RNPY4RNPY5RTFPI
SCHEMBL30658272	0.87	NPY2R (0.61)	NPY1RNPY2RNPY4RNPY5RTFPI
SCHEMBL31182624	0.86	CXCR4 (0.65)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30721554	0.86	NPY2R (0.76)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30561567	0.86	C5AR1 (0.69)	NPY1RNPY2RNPY4RNPY5RCXCR4

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