SCHEMBL7708488

SCHEMBL7708488

COc1ccc(C2CC(=O)N(Cc3ccc(I)cc3F)C2)c2c1oc1ccccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.78
PDE4A P27815 3/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
MAOA P21397 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
SCHEMBL2577995 0.90 PDE10A (0.64) PDE10APDE4ACYP17A1CYP19A1CYP11B1
SCHEMBL7703623 0.89 PDE10A (0.84) PDE10APDE4ACYP17A1CYP19A1CYP11B1
SCHEMBL2556844 0.89 PDE10A (0.70) PDE10APDE4ACYP17A1CYP19A1CYP11B1
SCHEMBL7711236 0.88 PDE10A (0.87) PDE10APDE4ACYP17A1CYP19A1CYP11B1
SCHEMBL7709755 0.86 PDE10A (0.73) PDE10APDE4ACYP17A1CYP19A1CYP11B1
SCHEMBL7710215 0.86 PDE10A (0.86) PDE10APDE4ACYP17A1CYP19A1CYP11B1
SCHEMBL7709660 0.85 PDE10A (1.00) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL7708474 0.83 PDE10A (0.67) PDE10APDE4ACYP17A1CYP19A1CYP11B1
SCHEMBL7709369 0.82 PDE10A (0.66) PDE10APDE4ACYP17A1CYP19A1CYP11B1
SCHEMBL8272706 0.82 PDE10A (0.67) PDE10APDE4ACYP17A1CYP19A1CYP11B1

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