SCHEMBL8928586

SCHEMBL8928586

Cc1sc2c(c1C)C(c1ccccc1Cl)=NCc1nnc(CN)n1-2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.51
PDE4D Q08499 2/20 0.51
PTAFR P25105 15/20 0.50
GABRA1 P14867 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRG2 P18507 1/20 0.44
HTR2A P28223 1/20 0.44
GABRB3 P28472 1/20 0.44
ADRA1A P35348 1/20 0.44
TSHR P16473 1/20 0.43
GABRB2 P47870 1/20 0.43

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
SCHEMBL8928539 0.86 PTAFR (0.66) OPRK1PDE4DPTAFRGABRA1GABRA5
SCHEMBL8928450 0.85 OPRK1 (0.40) OPRK1PDE4DPTAFRGABRA1GABRA5
SCHEMBL8928550 0.83 OPRK1 (0.60) OPRK1PDE4DPTAFRGABRA1GABRA5
SCHEMBL11508821 0.81 OPRK1 (0.57) OPRK1PDE4DPTAFRGABRA1GABRA5
SCHEMBL8928568 0.80 OPRK1 (0.76) OPRK1PDE4DPTAFR
SCHEMBL8928684 0.79 PTAFR (0.45) OPRK1PDE4DPTAFR
SCHEMBL8928948 0.79 OPRK1 (0.55) OPRK1PDE4DPTAFRGABRA1GABRA5
SCHEMBL8929065 0.78 OPRK1 (0.64) OPRK1PDE4DPTAFR
SCHEMBL8928608 0.78 OPRK1 (0.53) OPRK1PDE4DPTAFR
SCHEMBL11868021 0.76 GABRA1 (0.48) OPRK1PDE4DPTAFRGABRA1GABRA5

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
EP-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed