SCHEMBL11080906

SCHEMBL11080906

CC1Cc2cc(C3=NN(C)C(=O)C4CCC34)ccc2N(C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.50
PDE4B Q07343 11/20 0.50
PDE4C Q08493 11/20 0.50
PDE4D Q08499 11/20 0.50
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
HRH3 Q9Y5N1 5/20 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
SCHEMBL11083382 0.95 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL11092766 0.91 MAPT (0.49) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL11090491 0.89 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL11089457 0.86 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL11083726 0.85 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11083094 0.82 PDE3B (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11087323 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11086289 0.81 PDE3B (0.51) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL11083063 0.81 HRH3 (0.43) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL11094108 0.81 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B

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
US-4474785-A HYPOTENSIVE AGENTS, ANTICOAGULANTS BASF AKTIENGESELLSCHAFT (DE) 1984-10-02 US disclosed