SCHEMBL30007144

SCHEMBL30007144

O=C1NC2(CCCCC2)c2c(Oc3c(F)cccc3-c3n[nH]c(=O)[nH]3)cccc2N1Cl

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.34
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
KMT2A Q03164 1/20 0.31
BTK Q06187 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
SCHEMBL30007192 0.86 PDE7A (0.34) PDE7AKMT2A
SCHEMBL30007133 0.85 PDE7A (0.36) PDE7APARP1PARP2KMT2A
SCHEMBL30007696 0.85 PDE7A (0.32) PDE7A
SCHEMBL30007112 0.83 AGTR1 (0.38) PDE7AKMT2A
SCHEMBL29831605 0.82
SCHEMBL2680530 0.80 PDE7A (0.53) PDE7A
SCHEMBL30007177 0.75 PDE7A (0.34) PDE7A
SCHEMBL30007049 0.72 POLB (0.32) PDE7A
SCHEMBL30006547 0.72 PDE1A (0.32) PDE7A
SCHEMBL30007006 0.70 PDE1A (0.30) PDE7A

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