SCHEMBL9523451

SCHEMBL9523451

CCCCCCCCCCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 17/20 0.59
OPRK1 P41145 1/20 0.55
PDE4D Q08499 1/20 0.55
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
BRD4 O60885 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40

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
SCHEMBL9523381 1.00 PTAFR (0.59) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9522236 1.00 PTAFR (0.59) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10464293 1.00 PTAFR (0.59) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10465293 0.92 PTAFR (0.62) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9522870 0.92 PTAFR (0.62) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9522364 0.91 PTAFR (0.56) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9525233 0.91 PTAFR (0.56) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10464198 0.91 PTAFR (0.58) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9521990 0.90 PTAFR (0.57) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9523433 0.90 PTAFR (0.57) 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