SCHEMBL9522376

SCHEMBL9522376

CCCCCCCCCCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1C

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 19/20 0.68
OPRK1 P41145 1/20 0.64
PDE4D Q08499 1/20 0.64
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54

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
SCHEMBL9522996 1.00 PTAFR (0.68) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9525269 1.00 PTAFR (0.68) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9522421 1.00 PTAFR (0.68) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9521971 0.92 PTAFR (0.64) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9525438 0.92 PTAFR (0.64) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9523069 0.92 PTAFR (0.64) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9525104 0.92 PTAFR (0.64) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9525884 0.91 PTAFR (0.81) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10462569 0.91 PTAFR (0.81) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10464347 0.91 PTAFR (0.81) PTAFROPRK1PDE4DCYP3A4ALOX15

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-0315698-B1 THIENO(TRIAZOLO)DIAZEPINE COMPOUNDS AND MEDICINAL APPLICATION OF THE SAME YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-4960770-A Vasodilating agents, cardiovascular disorder YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-10-02 US disclosed
EP-0315698-A1 THIENO(TRIAZOLO)DIAZEPINE COMPOUNDS AND MEDICINAL APPLICATION OF THE SAME YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-05-17 EP disclosed