SCHEMBL23489657

SCHEMBL23489657

CC(C)C(=O)Cn1cnc2ccc(N3CCN([C@@H](C)I)CC3)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.54

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL25067211 0.74 ENPP2 (0.55) ENPP2
SCHEMBL18130455 0.74 ENPP2 (0.67) ENPP2
SCHEMBL19833117 0.74 ENPP2 (0.67) ENPP2
SCHEMBL18130544 0.72 ENPP2 (0.67) ENPP2
SCHEMBL296197 0.72 ENPP2 (0.49) ENPP2
SCHEMBL30202377 0.72 ENPP2 (0.49) ENPP2
Hydrochloric Acid SCHEMBL1921111 0.71 ENPP2 (0.49) ENPP2
SCHEMBL18130526 0.71 ENPP2 (1.00) ENPP2
SCHEMBL3056004 0.69 ENPP2 (0.47) ENPP2
SCHEMBL18130620 0.68 ENPP2 (1.00) ENPP2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021113524-A2 GLP2 RECEPTOR AGONISTS AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-10 WO disclosed