SCHEMBL9542386

SCHEMBL9542386

Cc1nnc2n1-c1sc(CCOC(=O)O)cc1C(c1ccccc1Cl)=NC2

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.70
PDE4D Q08499 1/20 0.70
PTAFR P25105 19/20 0.68
CYP3A4 P08684 1/20 0.68
ALOX15 P16050 1/20 0.68

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
SCHEMBL10508820 0.94 OPRK1 (0.67) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9669397 0.93 OPRK1 (0.70) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL10454946 0.91 OPRK1 (0.68) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9667521 0.91 OPRK1 (0.68) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL10455819 0.91 OPRK1 (0.57) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL10455818 0.91 OPRK1 (0.67) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL10511642 0.90 OPRK1 (0.68) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL10455708 0.89 PTAFR (0.55) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL10455817 0.89 PTAFR (0.68) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL10456051 0.88 OPRK1 (0.64) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993013776-A1 USE OF PAF ANTAGONISTS IN THE TREATMENT OF DYSMENORRHEA KUTTER EBERHARD (DE) 1993-07-22 WO disclosed
EP-0230942-B1 THIENO-1,4-DIAZEPINES BOEHRINGER INGELHEIM KG (DE) 1992-04-29 EP disclosed
EP-0384421-A2 Use of PAF antagonists in the treatment of pathologic changes of the blood gas BOEHRINGER INGELHEIM KG (DE) 1990-08-29 EP disclosed
EP-0361077-A2 Use of PAF antagonists in the treatment of autoimmune disorders BOEHRINGER INGELHEIM KG (DE) 1990-04-04 EP disclosed
EP-0194416-B1 THIENO-TRIAZOLO-1,4-DIAZEPINO-2-CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM KG (DE) 1989-04-26 EP disclosed
EP-0230942-A2 Thieno-1,4-diazepines BOEHRINGER INGELHEIM KG (DE) 1987-08-05 EP disclosed