SCHEMBL31182934

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	RXFP1	Q9HBX9	2/20	0.58

▸	TFPI	P10646	1/20	0.55

▸	VIPR2	P41587	6/20	0.53

▸	VIPR1	P32241	4/20	0.53

▸	PTH1R	Q03431	1/20	0.50

▸	ECE1	P42892	1/20	0.49

▸	GLP1R	P43220	1/20	0.49

▸	MUS81	Q96NY9	1/20	0.49

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
SCHEMBL29939729	0.95	TFPI (0.55)	RXFP1TFPIVIPR2VIPR1ECE1
SCHEMBL30390186	0.93	RXFP1 (0.57)	RXFP1TFPIVIPR2VIPR1PTH1R
SCHEMBL30262016	0.92	TFPI (0.63)	RXFP1TFPIVIPR2VIPR1PTH1R
SCHEMBL30168700	0.92	RXFP1 (0.51)	RXFP1TFPIVIPR2VIPR1PTH1R
SCHEMBL30389981	0.92	RXFP1 (0.55)	RXFP1TFPIVIPR2VIPR1PTH1R
SCHEMBL29836391	0.91	RXFP1 (0.51)	RXFP1TFPIVIPR2VIPR1PTH1R
SCHEMBL29455880	0.91	TFPI (0.53)	RXFP1TFPIPTH1R
SCHEMBL30262158	0.91	RXFP1 (0.56)	RXFP1TFPIVIPR2VIPR1PTH1R
SCHEMBL30168735	0.90	TFPI (0.52)	RXFP1TFPIVIPR1PTH1R
SCHEMBL31672836	0.90	RXFP1 (0.52)	RXFP1TFPIVIPR2VIPR1

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