SCHEMBL9864012

SCHEMBL9864012

CCc1ccc(C(Cc2ccccc2)c2ccc(CCC3=NCc4nnc(C)n4-c4sc5c(c43)CCC5)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 12/20 0.41
OPRK1 P41145 1/20 0.35
PDE4D Q08499 1/20 0.35
MAPK1 P28482 1/20 0.35
BRD4 O60885 5/20 0.35

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
SCHEMBL9864007 0.90 PTAFR (0.45) PTAFROPRK1PDE4DMAPK1BRD4
SCHEMBL9864263 0.80 PTAFR (0.47) PTAFROPRK1PDE4DMAPK1BRD4
SCHEMBL9864146 0.76 PTAFR (0.40) PTAFROPRK1PDE4DBRD4
SCHEMBL9864382 0.76 PTAFR (0.52) PTAFROPRK1PDE4D
SCHEMBL9472598 0.75 PTAFR (0.56) PTAFROPRK1PDE4D
SCHEMBL9864306 0.75 BRD4 (0.44) PTAFROPRK1PDE4DBRD4
SCHEMBL9864632 0.73 PTAFR (0.43) PTAFROPRK1PDE4DBRD4
SCHEMBL9864329 0.73 PTAFR (0.48) PTAFROPRK1PDE4DBRD4
SCHEMBL9864670 0.72 PTAFR (0.43) PTAFROPRK1PDE4DBRD4
SCHEMBL9864142 0.72 PTAFR (0.43) PTAFROPRK1PDE4DBRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407955-A1 New hetrazepines acting as PAF antagonists, process for their production and their use as drugs BOEHRINGER INGELHEIM KG (DE) 1991-01-16 EP disclosed