SCHEMBL8928539

SCHEMBL8928539

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

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 15/20 0.66
OPRK1 P41145 2/20 0.64
PDE4D Q08499 2/20 0.64
GABRA1 P14867 2/20 0.56
GABRA5 P31644 2/20 0.56
GABRA3 P34903 2/20 0.56
GABRA2 P47869 2/20 0.56
GABRG2 P18507 1/20 0.56
HTR2A P28223 1/20 0.56
GABRB3 P28472 1/20 0.56
ADRA1A P35348 1/20 0.56
TSHR P16473 1/20 0.54
GABRB2 P47870 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
SCHEMBL8928586 0.86 OPRK1 (0.51) PTAFROPRK1PDE4DGABRA1GABRA5
SCHEMBL9038947 0.83 BRD4 (0.50) PTAFROPRK1PDE4DGABRA1GABRA5
SCHEMBL24997553 0.82 PTAFR (0.60) PTAFROPRK1PDE4DGABRA1GABRA5
SCHEMBL8928433 0.81 PTAFR (0.79) PTAFROPRK1PDE4DGABRA1GABRA5
SCHEMBL2537139 0.81 BRD4 (0.56) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL11509934 0.81 PTAFR (0.79) PTAFROPRK1PDE4DGABRA1GABRA5
SCHEMBL10444818 0.81 OPRK1 (0.66) PTAFROPRK1PDE4DGABRA1GABRA5
SCHEMBL5665477 0.80 PTAFR (0.58) PTAFROPRK1PDE4DGABRA1GABRA5
Brotizolam SCHEMBL44067 0.80 PTAFR (1.00) PTAFROPRK1PDE4DGABRA1GABRA5
SCHEMBL9379295 0.80 PTAFR (1.00) PTAFROPRK1PDE4DGABRA1GABRA5

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