SCHEMBL11512288

SCHEMBL11512288

Cc1nnc2n1-c1sc(Cl)cc1C(c1ccccn1)=NC2

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 17/20 0.64
GABRA1 P14867 2/20 0.60
GABRA5 P31644 2/20 0.60
GABRA3 P34903 2/20 0.60
GABRA2 P47869 2/20 0.60
GABRB2 P47870 2/20 0.60
OPRK1 P41145 1/20 0.56
PDE4D Q08499 1/20 0.56

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
SCHEMBL11509934 0.84 PTAFR (0.79) PTAFRGABRA1GABRA5GABRA3GABRA2
SCHEMBL11508119 0.81 PTAFR (0.65) PTAFRGABRA1GABRA5GABRA3GABRA2
SCHEMBL10464240 0.80 PTAFR (0.65) PTAFRGABRA1GABRA5GABRA3GABRA2
SCHEMBL11620342 0.79 GABRA1 (0.77) PTAFRGABRA1GABRA5GABRA3GABRA2
SCHEMBL11509181 0.79 PTAFR (0.56) PTAFROPRK1PDE4D
SCHEMBL11510006 0.79 PTAFR (0.62) PTAFRGABRA1GABRA5GABRA3GABRA2
SCHEMBL11511687 0.77 PTAFR (0.59) PTAFROPRK1PDE4D
SCHEMBL9669103 0.77 PTAFR (0.60) PTAFRGABRA1GABRA5GABRA3GABRA2
SCHEMBL8928433 0.75 PTAFR (0.79) PTAFRGABRA1GABRA5GABRA3GABRA2
SCHEMBL11624016 0.75 GABRA1 (1.00) PTAFRGABRA1GABRA5GABRA3GABRA2

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