SCHEMBL2556779

SCHEMBL2556779

O=C1CC(c2ccc(OC(F)F)c3oc4cnccc4c23)CN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.40
PDE4B Q07343 10/20 0.40
PDE4D Q08499 9/20 0.40
PDE4C Q08493 8/20 0.40
MTNR1A P48039 2/20 0.36
PDE10A Q9Y233 2/20 0.36
TSHR P16473 1/20 0.33
CYP3A4 P08684 2/20 0.31
VEGFA P15692 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CREBBP Q92793 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PDE5A O76074 1/20 0.31
TNF P01375 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL7704619 0.92 PDE4A (0.48) PDE4APDE4BPDE4DPDE4CMTNR1A
SCHEMBL2553511 0.92 PDE4A (0.48) PDE4APDE4BPDE4DPDE4CMTNR1A
SCHEMBL7711514 0.88 MTNR1A (0.45) PDE4APDE4BPDE4DPDE4CMTNR1A
SCHEMBL2556256 0.86 PDE4A (0.44) PDE4APDE4BPDE4DPDE4CMTNR1A
SCHEMBL2556505 0.84 PDE4A (0.45) PDE4APDE4BPDE4DPDE4CMTNR1A
SCHEMBL2557084 0.82 CYP19A1 (0.42) PDE4APDE4BPDE4DPDE4CMTNR1A
SCHEMBL2559533 0.78 PDE4A (0.44) PDE4APDE4BPDE4DPDE4CMTNR1A
SCHEMBL8272330 0.77 PDE4B (0.41) PDE4APDE4BPDE4DPDE4CMTNR1A
SCHEMBL8271346 0.77 PDE4B (0.41) PDE4APDE4BPDE4DPDE4CMTNR1A
SCHEMBL2560840 0.76 PDE10A (0.46) PDE4APDE4BPDE4DPDE4CPDE10A

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