SCHEMBL3840306

SCHEMBL3840306

CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)c(I)c2ccc(OS(=O)(=O)C(F)(F)F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 12/20 0.47
AVPR1A P37288 8/20 0.41

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
SCHEMBL1687223 0.85 AVPR1B (0.50) AVPR1BAVPR1A
SCHEMBL16423807 0.78 AVPR1B (0.45) AVPR1B
SCHEMBL1687136 0.72 AVPR1B (0.52) AVPR1B
SCHEMBL17556439 0.68 AVPR1B (0.71) AVPR1BAVPR1A
SCHEMBL1687275 0.68 AVPR1B (0.52) AVPR1B
SCHEMBL1687272 0.68 AVPR1B (0.52) AVPR1B
SCHEMBL1687265 0.67 AVPR1B (0.49) AVPR1B
SCHEMBL1687266 0.67 AVPR1B (0.49) AVPR1B
SCHEMBL4307532 0.67 AVPR1B (0.53) AVPR1B
SCHEMBL15987790 0.67 AVPR1B (0.59) AVPR1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066640-A2 2-(1-OXO-1H-ISOQUINOLIN-2-YL) ACETAMIDE DERIVATIVES N.V. Organon (NL) 2009-06-10 EP disclosed
WO-2008033757-A2 2-(1-OXO-1H-ISOQUINOLIN-2-YL) ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-03-20 WO disclosed