SCHEMBL30007112

SCHEMBL30007112

O=C1NC2(CCCCC2)c2c(Oc3c(F)cccc3-c3nn[nH]n3)cccc2N1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.38
PDE7A Q13946 2/20 0.37
PDE3A Q14432 2/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE1C Q14123 1/20 0.37
AGTR2 P50052 4/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
SCN9A Q15858 1/20 0.34
ABCC3 O15438 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
EDNRA P25101 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR2B P41595 1/20 0.32

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 0.84 PDE7A (0.34) PDE7APDE3APDE1APDE1BPDE4D
SCHEMBL8125460 0.83 PDE7A (0.49) PDE7APDE3APDE1APDE1BPDE4D
SCHEMBL30007144 0.83 PDE7A (0.34) PDE7AKMT2A
SCHEMBL30007696 0.83 PDE7A (0.32) PDE7A
SCHEMBL2681275 0.80 PDE7A (0.61) PDE7APDE3APDE1APDE1BPDE4D
SCHEMBL29831820 0.80 AGTR1 (0.34) AGTR1PDE3AAGTR2KDM4EPKM
SCHEMBL30007133 0.79 PDE7A (0.36) AGTR1PDE7APDE3APDE1APDE1B
SCHEMBL8118776 0.79 PDE7A (0.59) PDE7APDE3APDE1APDE1BPDE4D
SCHEMBL30007049 0.73 POLB (0.32) PDE7APDE3APDE1APDE1BPDE4D
SCHEMBL30006547 0.73 PDE1A (0.32) PDE7APDE3APDE1APDE1BPDE4D

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