SCHEMBL2556919

SCHEMBL2556919

CCCCCCN1CC(c2ccc(OC(F)F)c3oc4ccccc4c23)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.51
PDE4B Q07343 2/20 0.37
TP53 P04637 2/20 0.36
POLB P06746 2/20 0.36
FAAH O00519 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP17A1 P05093 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL2576250 0.88 PDE10A (0.46) PDE10APDE4BTP53POLBCYP19A1
SCHEMBL2560840 0.88 PDE10A (0.46) PDE10APDE4BTP53POLB
SCHEMBL8272011 0.86 PDE10A (0.62) PDE10APDE4BTP53POLBALDH1A1
SCHEMBL2560140 0.85 PDE10A (0.47) PDE10APDE4BTP53POLBCYP19A1
SCHEMBL2560888 0.81 PDE10A (0.48) PDE10APDE4BCYP19A1CYP11B1CYP11B2
SCHEMBL2563017 0.79 PDE10A (0.58) PDE10APDE4BALDH1A1LMNA
SCHEMBL7711267 0.79 PDE10A (0.59) PDE10APDE4BCYP19A1CYP11B1CYP11B2
SCHEMBL2562898 0.79 PDE10A (0.46) PDE10APDE4BTP53POLBNPC1
SCHEMBL7709735 0.78 PDE10A (0.52) PDE10APDE4BALDH1A1CYP19A1CYP11B1
SCHEMBL2562618 0.78 PDE10A (0.64) PDE10APDE4BPOLBCYP19A1CYP11B1

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 claimed