SCHEMBL8928854

SCHEMBL8928854

CCOC(=O)c1cc2c(s1)-n1c(nnc1CNC(=O)Nc1cccc(OC)c1)CN=C2c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.44
PDE4D Q08499 1/20 0.44
PTAFR P25105 14/20 0.42
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.39
P2RY12 Q9H244 1/20 0.39

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
SCHEMBL8928706 0.93 OPRK1 (0.45) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928635 0.92 PTAFR (0.44) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928504 0.89 OPRK1 (0.56) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928403 0.89 OPRK1 (0.49) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928545 0.86 OPRK1 (0.47) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928542 0.84 OPRK1 (0.46) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928524 0.82 OPRK1 (0.47) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928580 0.81 OPRK1 (0.60) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8929052 0.81 OPRK1 (0.58) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928865 0.81 OPRK1 (0.54) 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 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