SCHEMBL7709735

SCHEMBL7709735

O=C1CC(c2ccc(OC(F)F)c3oc4ccccc4c23)CN1Cc1ccc2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.52
HCRTR1 O43613 10/20 0.38
HCRTR2 O43614 10/20 0.38
PDE4B Q07343 2/20 0.37
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP17A1 P05093 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7706978 0.92 PDE10A (0.48) PDE10AHCRTR1HCRTR2PDE4BCYP19A1
SCHEMBL7706977 0.92 PDE10A (0.48) PDE10AHCRTR1HCRTR2PDE4BALDH1A1
SCHEMBL2562618 0.80 PDE10A (0.64) PDE10APDE4BCYP19A1CYP11B1CYP11B2
SCHEMBL7711267 0.80 PDE10A (0.59) PDE10APDE4BCYP19A1CYP11B1CYP11B2
SCHEMBL7703764 0.79 PDE10A (0.63) PDE10APDE4BCYP19A1CYP11B1CYP11B2
SCHEMBL7710971 0.79 PDE10A (0.83) PDE10APDE4BCYP19A1CYP11B1CYP11B2
SCHEMBL2577995 0.78 PDE10A (0.64) PDE10APDE4BCYP19A1CYP11B1CYP11B2
SCHEMBL2556919 0.78 PDE10A (0.51) PDE10APDE4BCYP19A1CYP11B1CYP11B2
SCHEMBL7713587 0.78 PDE10A (0.67) PDE10APDE4BCYP19A1CYP11B1CYP11B2
SCHEMBL2557003 0.78 PDE10A (0.52) PDE10AHCRTR1HCRTR2PDE4BCYP19A1

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