SCHEMBL9525077

SCHEMBL9525077

CCCCCCCCCCCCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 19/20 0.81
OPRK1 P41145 1/20 0.78
PDE4D Q08499 1/20 0.78
CYP3A4 P08684 1/20 0.65
ALOX15 P16050 1/20 0.65

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
SCHEMBL10464347 1.00 PTAFR (0.81) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9522397 1.00 PTAFR (0.81) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9525884 1.00 PTAFR (0.81) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10462569 1.00 PTAFR (0.81) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9403079 1.00 PTAFR (0.81) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10469718 0.96 PTAFR (0.88) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9523608 0.94 PTAFR (0.73) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9672866 0.94 PTAFR (0.93) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928483 0.92 OPRK1 (0.84) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9667874 0.91 OPRK1 (0.74) 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