SCHEMBL9523592

SCHEMBL9523592

CCCCCCc1cc2c(s1)-n1c(C)nnc1C(C)N=C2c1ccccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 17/20 0.66
OPRK1 P41145 1/20 0.50
PDE4D Q08499 1/20 0.50
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TBXAS1 P24557 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
SCHEMBL9522366 0.91 PTAFR (0.54) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9674442 0.90 PTAFR (0.68) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10412015 0.90 PTAFR (0.67) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9522862 0.89 PTAFR (0.52) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10410495 0.87 PTAFR (0.70) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9040885 0.87 PTAFR (0.62) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9041476 0.87 PTAFR (0.62) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9040170 0.86 PTAFR (0.63) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9039332 0.86 PTAFR (0.63) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10410718 0.86 PTAFR (0.58) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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