SCHEMBL31182566

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C

nearest known ligand 0.77

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	4/20	0.68

▸	NPY2R	P49146	8/20	0.67

▸	NPY4R	P50391	8/20	0.67

▸	NPY5R	Q15761	8/20	0.67

▸	NPY1R	P25929	6/20	0.67

▸	CXCR4	P61073	2/20	0.65

▸	CALCR	P30988	3/20	0.64

▸	KEAP1	Q14145	1/20	0.63

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
SCHEMBL29523674	0.94	CALCR (0.70)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30432502	0.93	NPY2R (0.67)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29531542	0.93	NPY2R (0.63)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31182668	0.93	NPY2R (0.66)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30423064	0.93	KEAP1 (0.69)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31182744	0.92	NPY2R (0.67)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31182515	0.92	TFPI (0.68)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29533414	0.92	TFPI (0.70)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30823265	0.92	CALCR (0.69)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30495739	0.92	IL23R (0.64)	TFPINPY2RNPY4RNPY5RNPY1R

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