SCHEMBL11509181

SCHEMBL11509181

Cc1nnc2n1-c1sc(Cl)cc1C(c1c(F)cccc1F)=NC2

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 18/20 0.56
OPRK1 P41145 1/20 0.54
PDE4D Q08499 1/20 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
SCHEMBL11508119 0.89 PTAFR (0.65) PTAFROPRK1PDE4D
SCHEMBL11509934 0.83 PTAFR (0.79) PTAFROPRK1PDE4D
SCHEMBL11510006 0.80 PTAFR (0.62) PTAFROPRK1PDE4D
SCHEMBL11512288 0.79 PTAFR (0.64) PTAFROPRK1PDE4D
SCHEMBL7317622 0.79 GABRA1 (0.70) PTAFROPRK1PDE4D
SCHEMBL23881599 0.76 PTAFR (0.63) PTAFROPRK1PDE4D
SCHEMBL11511687 0.76 PTAFR (0.59) PTAFROPRK1PDE4D
SCHEMBL23927219 0.74 GABRA1 (0.51) PTAFROPRK1PDE4D
SCHEMBL23881490 0.74 GABRA1 (0.70) PTAFROPRK1PDE4D
SCHEMBL23881525 0.74 PTAFR (0.80) PTAFROPRK1PDE4D

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
US-4155913-A ANTICONBULSANTS, MUSCLE RELAXANTS AND SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1979-05-22 US disclosed