SCHEMBL8928698

SCHEMBL8928698

O=C(O)CC[C@@H](NC(=O)Nc1ccccc1Cl)c1nnc2n1-c1sc(C3CC3)cc1C(c1ccccc1Cl)=NC2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.42
PDE4D Q08499 1/20 0.42
PTAFR P25105 19/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 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
SCHEMBL8928505 0.89 OPRK1 (0.56) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928623 0.88 OPRK1 (0.44) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928470 0.88 PTAFR (0.49) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928385 0.84 OPRK1 (0.53) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928529 0.82 OPRK1 (0.47) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928443 0.77 OPRK1 (0.55) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928564 0.76 OPRK1 (0.55) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928380 0.76 OPRK1 (0.55) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928603 0.76 PTAFR (0.43) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928556 0.74 OPRK1 (0.52) 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 2 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 claimed
EP-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed