SCHEMBL30007133

SCHEMBL30007133

O=C1NC2(CCCCC2)c2c(Oc3c(F)cccc3-c3noc(=O)[nH]3)cccc2N1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE1C Q14123 1/20 0.36
PDE3A Q14432 1/20 0.36
DHODH Q02127 1/20 0.32
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
AGTR1 P30556 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL30007144 0.85 PDE7A (0.34) PDE7APARP1PARP2KMT2A
SCHEMBL29832412 0.83
SCHEMBL30007192 0.83 PDE7A (0.34) PDE7APDE1APDE1BPDE4DPDE1C
SCHEMBL30007696 0.82 PDE7A (0.32) PDE7A
SCHEMBL30837840 0.81 PDE7A (0.59) PDE7APDE1APDE1BPDE4DPDE1C
SCHEMBL30007112 0.79 AGTR1 (0.38) PDE7APDE1APDE1BPDE4DPDE1C
SCHEMBL30007177 0.72 PDE7A (0.34) PDE7APDE1APDE1BPDE4DPDE1C
SCHEMBL29831605 0.70
SCHEMBL30007049 0.69 POLB (0.32) PDE7APDE1APDE1BPDE4DPDE1C
SCHEMBL30006547 0.69 PDE1A (0.32) PDE7APDE1APDE1BPDE4DPDE1C

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
CN-115192711-A Use of PDE7 inhibitors for the treatment of movement disorders 奥默罗斯公司 2022-10-18 CN disclosed