SCHEMBL10465293

SCHEMBL10465293

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 16/20 0.62
OPRK1 P41145 2/20 0.58
PDE4D Q08499 1/20 0.58
BRD4 O60885 2/20 0.52
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
LMNA P02545 2/20 0.48
GABRA1 P14867 1/20 0.48
HPGD P15428 1/20 0.48
CNR1 P21554 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9522870 1.00 PTAFR (0.62) PTAFROPRK1PDE4DBRD4CYP3A4
SCHEMBL10464293 0.92 PTAFR (0.59) PTAFROPRK1PDE4DBRD4CYP3A4
SCHEMBL9522236 0.92 PTAFR (0.59) PTAFROPRK1PDE4DBRD4CYP3A4
SCHEMBL9523381 0.92 PTAFR (0.59) PTAFROPRK1PDE4DBRD4CYP3A4
SCHEMBL9523451 0.92 PTAFR (0.59) PTAFROPRK1PDE4DBRD4CYP3A4
SCHEMBL9522304 0.91 PTAFR (0.63) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9523137 0.91 PTAFR (0.63) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9522234 0.91 PTAFR (0.63) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9523373 0.90 PTAFR (0.62) PTAFROPRK1PDE4DBRD4CYP3A4
SCHEMBL9522364 0.90 PTAFR (0.56) PTAFROPRK1PDE4DBRD4CYP3A4

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 2 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 disclosed
EP-0315698-A1 THIENO(TRIAZOLO)DIAZEPINE COMPOUNDS AND MEDICINAL APPLICATION OF THE SAME YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-05-17 EP disclosed