SCHEMBL10511642

SCHEMBL10511642

CCN(CC)C(=O)OCCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.68
PDE4D Q08499 1/20 0.68
PTAFR P25105 19/20 0.67
CYP3A4 P08684 1/20 0.64
ALOX15 P16050 1/20 0.64

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
SCHEMBL10456051 0.92 OPRK1 (0.64) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL10870209 0.92 OPRK1 (0.56) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL10454946 0.92 OPRK1 (0.68) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9542386 0.90 OPRK1 (0.70) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9669397 0.90 OPRK1 (0.70) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL10508885 0.89 OPRK1 (0.53) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9667521 0.88 OPRK1 (0.68) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL10455818 0.87 OPRK1 (0.67) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9421189 0.87 PTAFR (0.72) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL10455817 0.86 PTAFR (0.68) 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-0194416-A1 Thieno-triazolo-1,4-diazepino-2-carboxamides, process for their preparation and pharmaceutical compositions BOEHRINGER INGELHEIM KG (DE) 1986-09-17 EP claimed
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