SCHEMBL8928487

SCHEMBL8928487

O=C(O)Cc1cc2c(s1)-n1c(nnc1CNC(=O)c1cc3ccccc3[nH]1)CN=C2c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.46
PDE4D Q08499 1/20 0.46
PTAFR P25105 16/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
MIF P14174 2/20 0.42

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
SCHEMBL8928421 0.92 OPRK1 (0.57) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928523 0.91 PTAFR (0.49) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928549 0.90 MIF (0.43) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928627 0.87 MIF (0.42) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928601 0.87 PTAFR (0.44) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928615 0.85 OPRK1 (0.55) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928639 0.85 OPRK1 (0.55) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928499 0.84 OPRK1 (0.53) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928543 0.84 OPRK1 (0.44) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928848 0.84 OPRK1 (0.44) OPRK1PDE4DMIF

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