SCHEMBL2556065

SCHEMBL2556065

O=Cc1ccc(OC(F)F)c2oc3cnccc3c12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.43
PDE4D Q08499 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
TDO2 P48775 4/20 0.31
IDO1 P14902 2/20 0.31
CYP17A1 P05093 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL2562661 0.90 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CCYP17A1
SCHEMBL7707992 0.84 PDE4B (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL2559970 0.84 IDO1 (0.39) PDE4BPDE4DPDE4APDE4CTDO2
SCHEMBL8169795 0.82 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CCYP17A1
SCHEMBL2556489 0.81 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2
SCHEMBL2563026 0.79 CCNC (0.40) PDE4BPDE4DPDE4APDE4C
SCHEMBL2560102 0.77 ERN1 (0.43) TDO2IDO1CYP17A1CYP19A1CYP11B1
SCHEMBL7970312 0.76 PDE4B (0.36) PDE4BPDE4DPDE4APDE4C
SCHEMBL14308379 0.76 SMN1; SMN2 (0.37) PDE4BPDE4DPDE4APDE4C
SCHEMBL2792898 0.74 PDE4A (0.32) PDE4BPDE4DPDE4APDE4C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 WO disclosed
WO-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 WO disclosed