SCHEMBL9522366

SCHEMBL9522366

CCCCCCc1cc2c(s1)-n1c(C)nnc1C(C)N=C2c1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 14/20 0.54
OPRK1 P41145 1/20 0.40
PDE4D Q08499 1/20 0.40
GABRA1 P14867 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TBXAS1 P24557 3/20 0.34

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
SCHEMBL9523592 0.91 PTAFR (0.66) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9522862 0.90 PTAFR (0.52) PTAFROPRK1PDE4DGABRA1GABRA5
SCHEMBL9523466 0.83 PTAFR (0.45) PTAFRGABRA1GABRA5GABRA3GABRA2
SCHEMBL9674442 0.81 PTAFR (0.68) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10412015 0.81 PTAFR (0.67) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10465298 0.80 PTAFR (0.41) PTAFRGABRA1GABRA5GABRA3GABRA2
SCHEMBL9522996 0.80 PTAFR (0.68) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9525269 0.80 PTAFR (0.68) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9522376 0.80 PTAFR (0.68) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9522421 0.80 PTAFR (0.68) 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 6 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 claimed
US-4960770-A Vasodilating agents, cardiovascular disorder YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-10-02 US claimed
EP-0315698-A1 THIENO(TRIAZOLO)DIAZEPINE COMPOUNDS AND MEDICINAL APPLICATION OF THE SAME YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-05-17 EP claimed
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