SCHEMBL8928550

SCHEMBL8928550

Cc1cc2c(s1)-n1c(CN)nnc1CN=C2c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.60
PDE4D Q08499 2/20 0.60
PTAFR P25105 17/20 0.60
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
HTR2A P28223 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
ADRA1A P35348 1/20 0.51
GABRA2 P47869 1/20 0.51

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
SCHEMBL11508821 0.89 OPRK1 (0.57) OPRK1PDE4DPTAFRGABRA1GABRG2
SCHEMBL8928568 0.88 OPRK1 (0.76) OPRK1PDE4DPTAFR
SCHEMBL8928600 0.87 OPRK1 (0.47) OPRK1PDE4DPTAFRGABRA1GABRA5
SCHEMBL8928948 0.87 OPRK1 (0.55) OPRK1PDE4DPTAFRGABRA1GABRG2
SCHEMBL8929065 0.86 OPRK1 (0.64) OPRK1PDE4DPTAFR
SCHEMBL8928433 0.85 PTAFR (0.79) OPRK1PDE4DPTAFRGABRA1GABRG2
SCHEMBL8928608 0.85 OPRK1 (0.53) OPRK1PDE4DPTAFR
SCHEMBL8928613 0.85 OPRK1 (0.46) OPRK1PDE4DPTAFRGABRA1GABRG2
SCHEMBL8928586 0.83 OPRK1 (0.51) OPRK1PDE4DPTAFRGABRA1GABRG2
SCHEMBL8928865 0.83 OPRK1 (0.54) OPRK1PDE4DPTAFR

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