SCHEMBL31182903

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.70

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.65

▸	GLP1R	P43220	2/20	0.62

▸	GCGR	P47871	1/20	0.62

▸	GIPR	P48546	1/20	0.62

▸	PTH1R	Q03431	3/20	0.61

▸	VIPR1	P32241	2/20	0.60

▸	CCKBR	P32239	1/20	0.59

▸	RXFP1	Q9HBX9	1/20	0.59

▸	NR3C1	P04150	2/20	0.58

▸	VIPR2	P41587	2/20	0.57

▸	BACE1	P56817	1/20	0.57

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
SCHEMBL29640388	0.95	TFPI (0.65)	TFPIGLP1RGCGRGIPRPTH1R
SCHEMBL30607324	0.93	VIPR1 (0.65)	GLP1RGCGRGIPRPTH1RVIPR1
SCHEMBL29851163	0.92	TFPI (0.71)	TFPIGLP1RPTH1RVIPR1NR3C1
SCHEMBL29551264	0.92	TFPI (0.71)	TFPIGLP1RPTH1RVIPR1NR3C1
SCHEMBL29701273	0.91	TFPI (0.74)	TFPIGLP1RGCGRGIPRPTH1R
SCHEMBL31678895	0.91	TFPI (0.60)	TFPIGLP1RGCGRGIPRPTH1R
SCHEMBL30431350	0.91	OPRL1 (0.59)	TFPIGLP1RGCGRGIPRPTH1R
SCHEMBL30495615	0.91	TFPI (0.62)	TFPIGLP1RGCGRGIPRPTH1R
SCHEMBL29949376	0.91	GLP1R (0.63)	TFPIGLP1RGCGRGIPRPTH1R
SCHEMBL30277897	0.91	TFPI (0.60)	TFPIGLP1RGCGRGIPRPTH1R

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