SCHEMBL6221924

SCHEMBL6221924

COCC[N+](CCOC)(C(=O)C=O)c1cn(Cc2ccc(F)cc2)c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ CNR2 P34972 6/20 0.41
▸ CNR1 P21554 3/20 0.41
▸ TP53 P04637 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ THRB P10828 1/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ APP P05067 1/20 0.36
▸ SNCA P37840 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL5552765 0.72 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL6706747 0.71 ALDH1A1 (0.64) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL5557953 0.70 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL6225092 0.69 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL16750287 0.69 CNR2 (0.48) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL9278001 0.68 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL5559147 0.68 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCNR2
Hydrochloric Acid SCHEMBL9278006 0.67 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL6222754 0.67 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL16750284 0.66 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DCNR2

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
EP-1330455-B1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2005-08-03 — — EP claimed
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