SCHEMBL9838591

SCHEMBL9838591

CCCCCCCCOc1ccc(C(=O)OC(C)c2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.52
PDE4D Q08499 1/20 0.52
PTAFR P25105 19/20 0.52
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL10512188 0.92 PTAFR (0.52) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9837230 0.91 PTAFR (0.62) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9838502 0.80 PTAFR (0.59) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9838409 0.77 PTAFR (0.53) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9045091 0.76 OPRK1 (0.61) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9837220 0.76 PTAFR (0.57) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL10462569 0.74 PTAFR (0.81) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL10513238 0.72 PTAFR (0.50) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL10469718 0.72 PTAFR (0.88) OPRK1PDE4DPTAFRCYP3A4ALOX15
Etizolam SCHEMBL10869413 0.71 OPRK1 (0.90) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316456-A1 ESTER-SUBSTITUTED THIENOTRIAZOLODIAZEPINE COMPOUNDS AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-24 EP claimed
US-5028603-A Platelet-Activating Factor Antagonist; Useful In Treatment Of Inflammatory Diseases, Allergic Diseases, Asthma, Respiratory System Disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-07-02 US disclosed
EP-0316456-A1 ESTER-SUBSTITUTED THIENOTRIAZOLODIAZEPINE COMPOUNDS AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-24 EP disclosed