SCHEMBL8928469

SCHEMBL8928469

CC(=O)c1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 18/20 0.70
OPRK1 P41145 2/20 0.68
PDE4D Q08499 2/20 0.68
CYP3A4 P08684 1/20 0.61
ALOX15 P16050 1/20 0.61
GABRA1 P14867 1/20 0.58
GABRG2 P18507 1/20 0.58
HTR2A P28223 1/20 0.58
GABRB3 P28472 1/20 0.58
GABRA5 P31644 1/20 0.58
GABRA3 P34903 1/20 0.58
ADRA1A P35348 1/20 0.58
GABRA2 P47869 1/20 0.58

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
SCHEMBL8928439 0.92 PTAFR (0.70) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9661361 0.91 PTAFR (0.69) PTAFROPRK1PDE4DCYP3A4ALOX15
Bicarbonate SCHEMBL10510835 0.86 PTAFR (0.72) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10513136 0.86 OPRK1 (0.68) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9654278 0.86 OPRK1 (0.63) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9651412 0.85 OPRK1 (0.62) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL11509934 0.85 PTAFR (0.79) PTAFROPRK1PDE4DGABRA1GABRG2
SCHEMBL8928433 0.85 PTAFR (0.79) PTAFROPRK1PDE4DGABRA1GABRG2
SCHEMBL9669268 0.83 PTAFR (0.75) PTAFROPRK1PDE4DCYP3A4ALOX15
Etizolam SCHEMBL10869413 0.83 OPRK1 (0.90) 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-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed
EP-0230942-B1 THIENO-1,4-DIAZEPINES BOEHRINGER INGELHEIM KG (DE) 1992-04-29 EP disclosed
US-4900729-A PLATELET ACTIVATING FACTOR ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1990-02-13 US disclosed