SCHEMBL11083094

SCHEMBL11083094

CN1N=C(c2ccc3c(c2)CCC(=O)N3C)C2CCC2C1=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
CYP11B1 P15538 18/20 0.50
CYP11B2 P19099 17/20 0.50
CYP1A2 P05177 2/20 0.50
CYP17A1 P05093 1/20 0.50
CYP19A1 P11511 1/20 0.50

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
SCHEMBL11092463 0.95 PDE4A (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11094108 0.94 PDE4A (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11080911 0.91 PDE4A (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11087147 0.90 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11090491 0.86 PDE4A (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11089457 0.85 PDE4A (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11082375 0.84 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11080906 0.82 PDE4A (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11083726 0.81 PDE4A (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11087323 0.81 PDE4A (0.52) 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-4474785-A HYPOTENSIVE AGENTS, ANTICOAGULANTS BASF AKTIENGESELLSCHAFT (DE) 1984-10-02 US disclosed