SCHEMBL8928754

SCHEMBL8928754

Cc1nnc2n1-c1sc(C(C)C)cc1C(c1ccccc1Cl)=NC2

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 17/20 0.73
OPRK1 P41145 2/20 0.70
PDE4D Q08499 2/20 0.70
GABRA1 P14867 1/20 0.60
GABRG2 P18507 1/20 0.60
HTR2A P28223 1/20 0.60
GABRB3 P28472 1/20 0.60
GABRA5 P31644 1/20 0.60
GABRA3 P34903 1/20 0.60
ADRA1A P35348 1/20 0.60
GABRA2 P47869 1/20 0.60

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
SCHEMBL9667536 0.92 PTAFR (0.70) PTAFROPRK1PDE4DGABRA1GABRG2
SCHEMBL9839073 0.90 PTAFR (0.71) PTAFROPRK1PDE4DGABRA1GABRG2
SCHEMBL8928417 0.88 PTAFR (0.66) PTAFROPRK1PDE4D
SCHEMBL11509934 0.86 PTAFR (0.79) PTAFROPRK1PDE4DGABRA1GABRG2
SCHEMBL8928433 0.86 PTAFR (0.79) PTAFROPRK1PDE4DGABRA1GABRG2
SCHEMBL10375810 0.86 PTAFR (0.66) PTAFROPRK1PDE4DGABRA1GABRG2
SCHEMBL8928948 0.85 OPRK1 (0.55) PTAFROPRK1PDE4DGABRA1GABRG2
SCHEMBL9839118 0.85 PTAFR (0.62) PTAFROPRK1PDE4D
SCHEMBL10375196 0.85 PTAFR (0.65) PTAFROPRK1PDE4D
Hydrochloric Acid SCHEMBL9838940 0.85 PTAFR (0.61) 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
EP-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed