SCHEMBL30415136

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

nearest known ligand 0.74

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.61

▸	NPY4R	P50391	7/20	0.61

▸	NPY5R	Q15761	7/20	0.61

▸	NPY1R	P25929	5/20	0.61

▸	CALCR	P30988	3/20	0.61

▸	TFPI	P10646	4/20	0.61

▸	GLP1R	P43220	3/20	0.59

▸	GCGR	P47871	3/20	0.59

▸	CXCR4	P61073	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
SCHEMBL30415450	0.93	CXCR4 (0.60)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30415751	0.92	NPY1R (0.66)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL29390108	0.91	EPHA2 (0.62)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29523674	0.90	CALCR (0.70)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578733	0.90	CALCR (0.73)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578729	0.90	CALCR (0.73)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30415150	0.90	EPHA2 (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31473050	0.90	CXCR4 (0.61)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30415378	0.90	TFPI (0.59)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30906381	0.89	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RCALCR

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-20230165943-A1	TP508 ACUTE THERAPY FOR PATIENTS WITH RESPIRATORY VIRUS INFECTION	CHRYSALIS BIOTHERAPEUTICS, INC.	2023-06-01	—	—	US	disclosed