SCHEMBL31182835

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	7/20	0.62

▸	CALCA	P06881	2/20	0.61

▸	RXFP1	Q9HBX9	1/20	0.60

▸	GLP1R	P43220	8/20	0.59

▸	GIPR	P48546	6/20	0.59

▸	PTH1R	Q03431	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
SCHEMBL30495697	0.91	NPY1R (0.68)	CXCR4CALCAGLP1RGIPRPTH1R
Cecropin Ad SCHEMBL29842479	0.89	NPY1R (0.68)	CALCAGLP1RGIPR
SCHEMBL29625324	0.88	CXCR4 (0.63)	CXCR4CALCARXFP1GLP1RPTH1R
SCHEMBL31183030	0.87	NPY1R (0.67)	CXCR4CALCAGLP1RGIPRPTH1R
SCHEMBL31622295	0.87	CXCR4 (0.64)	CXCR4CALCAGLP1RGIPR
SCHEMBL29430205	0.87	NPY1R (0.65)	CXCR4RXFP1GLP1RGIPRPTH1R
SCHEMBL28972123	0.87	KEAP1 (0.69)	CXCR4CALCAGLP1RGIPR
Cecropin A SCHEMBL29361111	0.87	KEAP1 (0.67)	CALCAGLP1RGIPR
SCHEMBL9073974	0.87	CXCR4 (0.72)	CXCR4RXFP1GLP1RPTH1R
SCHEMBL31182780	0.86	C5AR1 (0.66)	CXCR4GLP1RGIPR

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