SCHEMBL31182847

CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O)C(C)C)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	4/20	0.62

▸	NMUR2	Q9GZQ4	3/20	0.61

▸	NMUR1	Q9HB89	3/20	0.61

▸	RAMP3	O60896	1/20	0.60

▸	CALCR	P30988	1/20	0.60

▸	NPY2R	P49146	7/20	0.60

▸	NPY4R	P50391	7/20	0.60

▸	NPY5R	Q15761	7/20	0.60

▸	NPY1R	P25929	5/20	0.60

▸	CXCR4	P61073	2/20	0.59

▸	KDM1A	O60341	1/20	0.58

▸	EP300	Q09472	1/20	0.58

▸	HIF1A	Q16665	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
SCHEMBL30327447	0.95	RAMP3 (0.64)	TFPINMUR2NMUR1RAMP3CALCR
SCHEMBL31707403	0.90	CXCR4 (0.62)	TFPINMUR2NMUR1RAMP3CALCR
SCHEMBL32670346	0.89	RAMP3 (0.64)	TFPINMUR2NMUR1RAMP3CALCR
SCHEMBL31182617	0.89	NPY2R (0.61)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30495721	0.89	NPY2R (0.65)	TFPIRAMP3CALCRNPY2RNPY4R
SCHEMBL30335630	0.89	NMUR2 (0.64)	TFPINMUR2NMUR1RAMP3CALCR
SCHEMBL31182462	0.89	CALCR (0.64)	TFPINMUR2NMUR1RAMP3CALCR
SCHEMBL30618027	0.89	NPY2R (0.67)	TFPICALCRNPY2RNPY4RNPY5R
SCHEMBL29632841	0.88	TFPI (0.64)	TFPINMUR2NMUR1RAMP3CALCR
SCHEMBL30485544	0.88	NMUR2 (0.59)	TFPINMUR2NMUR1RAMP3CALCR

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