SCHEMBL30712936

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	NPBWR1	P48145	9/20	0.63

▸	IL23R	Q5VWK5	6/20	0.59

▸	CXCR4	P61073	1/20	0.56

▸	PTH1R	Q03431	1/20	0.56

▸	KISS1R	Q969F8	2/20	0.55

▸	RXFP1	Q9HBX9	1/20	0.55

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
SCHEMBL29973204	0.91	NPBWR1 (0.65)	NPBWR1IL23RCXCR4KISS1RRXFP1
SCHEMBL31461987	0.90	NPBWR1 (0.62)	NPBWR1IL23RKISS1R
SCHEMBL29973756	0.90	NPBWR1 (0.67)	NPBWR1IL23RCXCR4
SCHEMBL31462053	0.90	NPBWR1 (0.58)	NPBWR1KISS1R
SCHEMBL31461886	0.90	NPBWR1 (0.61)	NPBWR1IL23RKISS1R
SCHEMBL31462016	0.90	KISS1R (0.60)	NPBWR1KISS1R
SCHEMBL30093004	0.90	NPBWR1 (0.64)	NPBWR1IL23RKISS1R
SCHEMBL29973052	0.89	NPBWR1 (0.68)	NPBWR1IL23RCXCR4RXFP1
SCHEMBL30093054	0.89	PCSK9 (0.60)	NPBWR1IL23RPTH1RRXFP1
SCHEMBL30093120	0.89	PCSK9 (0.60)	NPBWR1IL23RPTH1RRXFP1

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-20240003881-A1	SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES	THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA)	2024-01-04	—	—	US	disclosed