SCHEMBL9709718

SCHEMBL9709718

CCc1cc(NCc2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ncccc2n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.42
AGTR2 P50052 9/20 0.42
AGT P01019 2/20 0.37
USP1 O94782 2/20 0.35
WDR48 Q8TAF3 2/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RX7 Q99572 1/20 0.34
MET P08581 1/20 0.33

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
SCHEMBL9709702 0.91 AGTR1 (0.42) AGTR1AGTR2AGTUSP1WDR48
SCHEMBL9709873 0.89 AGTR1 (0.45) AGTR1AGTR2AGTPDE4APDE4B
SCHEMBL9709729 0.82 AGTR1 (0.44) AGTR1AGTR2AGT
SCHEMBL9709724 0.81 AGTR1 (0.39) AGTR1AGTR2AGTP2RX7
SCHEMBL9592346 0.79 AGTR1 (0.49) AGTR1AGTR2AGT
SCHEMBL3061585 0.79 AGTR1 (0.44) AGTR1AGTR2AGT
SCHEMBL9709589 0.78 AGTR1 (0.49) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709746 0.77 AGTR1 (0.39) AGTR1AGTR2AGT
SCHEMBL9709862 0.76 BDKRB1 (0.46) AGTR1AGTR2
SCHEMBL9178505 0.75 AGTR1 (0.47) AGTR1AGTR2AGT

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
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed