SCHEMBL22559997

SCHEMBL22559997

CC1C(=O)NCC1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
SLC6A3 Q01959 10/20 0.54
SLC6A2 P23975 5/20 0.46
PARP3 Q9Y6F1 1/20 0.45
SLC6A4 P31645 2/20 0.43
F2RL1 P55085 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13473789 1.00 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DSLC6A3
SCHEMBL13473787 1.00 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DSLC6A3
SCHEMBL19862620 0.83 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DSLC6A3
SCHEMBL18590577 0.83 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DSLC6A3
SCHEMBL18590455 0.83 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DSLC6A3
SCHEMBL18590471 0.83 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DSLC6A3
SCHEMBL13818146 0.81 SLC6A3 (0.41) PDE4APDE4BPDE4CPDE4DSLC6A3
SCHEMBL19559470 0.79 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DSLC6A3
SCHEMBL11084872 0.78 SLC6A3 (0.81) SLC6A3SLC6A2SLC6A4
SCHEMBL11084869 0.78 SLC6A3 (0.81) SLC6A3SLC6A2SLC6A4

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
US-10808059-B2 Polymer CANON KABUSHIKI KAISHA (JP) 2020-10-20 US disclosed