SCHEMBL31182664

CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)O

nearest known ligand 0.69

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	2/20	0.67

▸	C5AR1	P21730	2/20	0.67

▸	NPY2R	P49146	6/20	0.67

▸	NPY4R	P50391	6/20	0.67

▸	NPY5R	Q15761	6/20	0.67

▸	NPY1R	P25929	4/20	0.67

▸	GLP1R	P43220	6/20	0.61

▸	GCGR	P47871	3/20	0.61

▸	CXCR4	P61073	3/20	0.61

▸	CCKBR	P32239	2/20	0.60

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
SCHEMBL30159330	0.90	CALCR (0.73)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31000951	0.90	C5AR1 (0.71)	IL23RC5AR1NPY2RNPY4RNPY5R
SCHEMBL30658220	0.89	GLP1R (0.72)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL29416112	0.89	GLP1R (0.72)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL30527854	0.89	GLP1R (0.72)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL31547375	0.89	NPY2R (0.71)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL30436762	0.89	IL23R (0.72)	IL23RNPY2RNPY4RNPY5RNPY1R
SCHEMBL30692442	0.88	NPY1R (0.71)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL29416095	0.88	NPY1R (0.71)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL31182875	0.88	NPY1R (0.69)	C5AR1NPY2RNPY4RNPY5RNPY1R

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