SCHEMBL7711523

SCHEMBL7711523

COc1ccc(C2CC(=O)N(Cc3ccc(-c4cccnc4)cc3F)C2)c2c1oc1ccncc12

nearest known ligand 0.89

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.89
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
TNIK Q9UKE5 2/20 0.37
ABCB1 P08183 2/20 0.36
ABCC1 P33527 2/20 0.36
FAAH O00519 1/20 0.36
NAAA Q02083 1/20 0.36
MGLL Q99685 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL2556547 0.94 PDE10A (0.89) PDE10AHCRTR1HCRTR2TNIKABCB1
SCHEMBL7709660 0.94 PDE10A (1.00) PDE10AHCRTR1HCRTR2TNIKABCB1
SCHEMBL7707777 0.91 PDE10A (0.75) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL7710215 0.87 PDE10A (0.86) PDE10AHCRTR1HCRTR2TNIKNAAA
SCHEMBL2557873 0.86 PDE10A (0.69) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL2560629 0.86 PDE10A (0.84) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL7703623 0.86 PDE10A (0.84) PDE10AHCRTR1HCRTR2NAAACYP17A1
SCHEMBL2556467 0.83 PDE10A (0.63) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL2563062 0.82 PDE10A (0.70) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL2556844 0.82 PDE10A (0.70) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2

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