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
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