SCHEMBL11529917

SCHEMBL11529917

CCC(O)CN1N=C(c2ccc(Cl)cc2)[C@H]2CC[C@@H]2C1=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 20/20 0.43
PDE4A P27815 19/20 0.43
PDE4B Q07343 19/20 0.43
PDE4C Q08493 19/20 0.43

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
SCHEMBL11529928 1.00 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL11746013 1.00 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL11529915 1.00 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL11568698 0.79 MAOB (0.40) PDE4DPDE4APDE4BPDE4C
SCHEMBL11561098 0.76 ALDH1A1 (0.43)
SCHEMBL11531244 0.71 MAOB (0.41)
SCHEMBL11569239 0.69 MEN1 (0.45)
SCHEMBL11562685 0.68 MEN1 (0.39) PDE4DPDE4APDE4BPDE4C
SCHEMBL11555166 0.65 ACHE (0.38)
SCHEMBL11561396 0.65 NT5E (0.41)

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-4136184-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS SANDOZ, INC. (US) 1979-01-23 US disclosed