SCHEMBL7320082

SCHEMBL7320082

CC(C)NC(=O)CN1Cc2c(cccc2OCCCC(=O)N(C2CCCCC2)C2CCCCC2)N=C1NC(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.49
PDE3A Q14432 4/20 0.49
PDE4A P27815 14/20 0.42
PDE4B Q07343 14/20 0.42
PDE4C Q08493 14/20 0.42
PDE4D Q08499 14/20 0.42
HTR2A P28223 1/20 0.39
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL7309882 0.94 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7311578 0.90 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7308149 0.88 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7318475 0.88 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7311520 0.85 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7319496 0.82 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7311019 0.81 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7317927 0.81 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7315968 0.81 PDE4A (0.42) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7319736 0.80 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C

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-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 US disclosed