SCHEMBL9673303

SCHEMBL9673303

Cc1nnc2n1-c1sc(Cc3ccccc3)cc1C(c1ccccc1Cl)=NC2

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.79
PDE4D Q08499 1/20 0.79
PTAFR P25105 19/20 0.70
CYP3A4 P08684 1/20 0.63
ALOX15 P16050 1/20 0.63

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
SCHEMBL9674052 0.91 PTAFR (0.84) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9672548 0.91 PTAFR (0.85) OPRK1PDE4DPTAFRCYP3A4ALOX15
Etizolam SCHEMBL30665015 0.89 OPRK1 (1.00) OPRK1PDE4DPTAFRCYP3A4ALOX15
Etizolam SCHEMBL42920 0.89 OPRK1 (1.00) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9667837 0.87 OPRK1 (0.81) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928483 0.87 OPRK1 (0.84) OPRK1PDE4DPTAFRCYP3A4ALOX15
Etizolam SCHEMBL10869413 0.86 OPRK1 (0.90) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9654335 0.86 OPRK1 (0.76) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9672536 0.85 PTAFR (0.82) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9672719 0.85 PTAFR (0.84) OPRK1PDE4DPTAFRCYP3A4ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268242-B1 PAF-ANTAGONISTIC THIENOTRIAZOLODIAZEPINE COMPOUNDS AND PHARMACEUTICAL USES THEREOF Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1992-03-18 EP disclosed
US-4820703-A TREATMENT OF INFLAMMATORY, RESPIRATORY AND CARDIOVASCULAR DISEASES YOSHITOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1989-04-11 US disclosed
EP-0268242-A1 PAF-antagonistic thienotriazolodiazepine compounds and pharmaceutical uses thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-05-25 EP disclosed