SCHEMBL8928544

SCHEMBL8928544

CCc1cc2c(s1)-n1c(nnc1N(C)C(=O)c1cc3ccccc3n1CCC(=O)OC)CN=C2c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.52
PDE4D Q08499 1/20 0.52
PTAFR P25105 17/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL8928440 0.88 OPRK1 (0.55) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928546 0.86 OPRK1 (0.51) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928732 0.80 OPRK1 (0.44) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928667 0.80 OPRK1 (0.44) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8688977 0.80 OPRK1 (0.34) OPRK1PDE4DKMT2A
SCHEMBL8928805 0.79 OPRK1 (0.53) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928402 0.75 OPRK1 (0.53) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928442 0.74 OPRK1 (0.54) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928557 0.73 PTAFR (0.73) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928481 0.72 OPRK1 (0.84) 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