SCHEMBL30007049

SCHEMBL30007049

O=C1NC2(CCCC2)c2c(Oc3ccccc3-c3nnn[nH]3)cccc2N1Cl

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE3A Q14432 1/20 0.31
LMNA P02545 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
SCHEMBL30007006 0.89 PDE1A (0.30) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL30006547 0.89 PDE1A (0.32) ALDH1A1PDE1APDE1BPDE4DPDE7A
SCHEMBL30007177 0.88 PDE7A (0.34) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL30007696 0.88 PDE7A (0.32) PDE7A
SCHEMBL30007192 0.87 PDE7A (0.34) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL29408499 0.79 PDE7A (0.53) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL2680184 0.79 PDE7A (0.53) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL29408483 0.79 PDE7A (0.55) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL299935 0.79 PDE7A (0.55) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL29831800 0.78

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