SCHEMBL3378468

SCHEMBL3378468

COC(=O)OCc1cc(-c2cccc(Cl)c2)c2nc(C)c(C)n2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.38
KMT2A Q03164 1/20 0.37
CHRM3 P20309 4/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
EGFR P00533 2/20 0.36
DPP4 P27487 2/20 0.36
ATM Q13315 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
CDK2 P24941 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DYRK3 O43781 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL3381843 0.84 GPR119 (0.39) PDE4DKMT2ACHRM3EGFRGPR119
SCHEMBL3379763 0.83 TRPM8 (0.39) PDE4DKMT2ACHRM3GABRA2GABRB2
SCHEMBL3375932 0.83 CHRM3 (0.35) PDE4DKMT2ACHRM3GABRA2GABRB2
SCHEMBL7911720 0.82 CHRM3 (0.33) PDE4DKMT2ACHRM3GABRA2GABRB2
SCHEMBL7916793 0.82 DPP4 (0.39) KMT2ADPP4TP53THRBALDH1A1
SCHEMBL3381952 0.80 MAPK14 (0.43) KMT2AGABRA2GABRB2
SCHEMBL3379685 0.80 DPP4 (0.39) KMT2ADPP4ALDH1A1HPGDSMN1; SMN2
SCHEMBL7902720 0.80 DPP4 (0.39) KMT2ADPP4TP53NPC1ALDH1A1
SCHEMBL7913069 0.79 HDAC6 (0.44) PDE4DCHRM3EGFRGPR119
SCHEMBL3378785 0.78 GABRA2 (0.47) KMT2AGABRA2GABRB2TRPM8NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed