SCHEMBL7713587

SCHEMBL7713587

O=C1CC(c2ccc(OC(F)F)c3oc4ccccc4c23)CN1Cc1ccc(-c2cccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.67
GRM2 Q14416 1/20 0.41
PDE5A O76074 1/20 0.36
PDE4B Q07343 4/20 0.36
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP19A1 P11511 3/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
CYP17A1 P05093 1/20 0.35
GRM5 P41594 1/20 0.34
RXFP3 Q9NSD7 2/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
TNIK Q9UKE5 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
SCHEMBL7703764 0.92 PDE10A (0.63) PDE10AGRM2PDE4BPDE4APDE4C
SCHEMBL2561569 0.91 PDE10A (0.59) PDE10AGRM2PDE4BPDE4APDE4C
SCHEMBL7711525 0.90 PDE10A (0.78) PDE10AGRM2PDE5APDE4BPDE4A
SCHEMBL2576417 0.90 PDE10A (0.62) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL2560629 0.89 PDE10A (0.84) PDE10APDE4BCYP19A1CYP11B1CYP11B2
SCHEMBL7710971 0.87 PDE10A (0.83) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL2556983 0.87 PDE10A (0.54) PDE10AGRM2PDE4BPDE4APDE4C
SCHEMBL2563284 0.86 PDE10A (0.56) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL2561577 0.84 PDE10A (0.69) PDE10AGRM2PDE4BPDE4APDE4C
SCHEMBL2553598 0.83 PDE10A (0.53) PDE10APDE4BPDE4APDE4CPDE4D

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