SCHEMBL31182655

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	1/20	0.67

▸	APLNR	P35414	2/20	0.60

▸	F2	P00734	4/20	0.59

▸	GLP1R	P43220	4/20	0.56

▸	GCGR	P47871	4/20	0.56

▸	GIPR	P48546	1/20	0.56

▸	NMUR2	Q9GZQ4	2/20	0.56

▸	NMUR1	Q9HB89	2/20	0.56

▸	CXCR4	P61073	1/20	0.55

▸	TFPI	P10646	3/20	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
SCHEMBL31182722	0.90	GLP1R (0.62)	GLP1RGCGRGIPR
SCHEMBL30176412	0.88	MC4R (0.63)	MC4RAPLNRF2NMUR2NMUR1
SCHEMBL30607386	0.88	MC4R (0.61)	MC4RAPLNRF2NMUR2NMUR1
SCHEMBL30431854	0.87	MC4R (0.61)	MC4RAPLNRF2GLP1RGCGR
SCHEMBL29413125	0.86	APLNR (0.74)	MC4RAPLNRGLP1RGCGR
SCHEMBL31182477	0.86	APLNR (0.64)	APLNRF2TFPI
SCHEMBL31182958	0.86	GLP1R (0.66)	GLP1RGCGRGIPR
SCHEMBL30432441	0.86	CALCR (0.60)	F2GLP1RGCGR
SCHEMBL31031602	0.85	F2 (0.59)	MC4RAPLNRF2NMUR2NMUR1
SCHEMBL30767711	0.85	MC4R (0.64)	MC4RAPLNRF2GLP1RGCGR

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