SCHEMBL8878112

SCHEMBL8878112

CCc1cc2c(s1)-n1c(nnc1-c1ccccc1)CN=C2c1ccccc1Cl

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 0.60
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 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
Etizolam SCHEMBL30665015 0.89 OPRK1 (1.00) OPRK1PDE4DPTAFRCYP3A4ALOX15
Etizolam SCHEMBL42920 0.89 OPRK1 (1.00) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928481 0.88 OPRK1 (0.84) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928449 0.86 OPRK1 (0.80) OPRK1PDE4DPTAFRCYP3A4ALOX15
Etizolam SCHEMBL10869413 0.86 OPRK1 (0.90) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928378 0.85 OPRK1 (0.79) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928839 0.84 OPRK1 (0.76) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928541 0.84 OPRK1 (0.76) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928568 0.84 OPRK1 (0.76) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928490 0.83 OPRK1 (0.74) 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 4 patents. 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
US-5593988-A DIAZIPINE DERIVATIVES OF THIOPHENE FOR BONE DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
EP-0661284-A1 THIENODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-07-05 EP disclosed
EP-0638560-A1 REMEDY FOR OSTEOPOROSIS AND DIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-02-15 EP disclosed