SCHEMBL4958875

SCHEMBL4958875

CCCCc1nc2ccccc2c(=O)n1C1CCN(CC(O)COCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ LMNA P02545 4/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TSHR P16473 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ SCN1A P35498 1/20 0.42
▸ SCN5A Q14524 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HTR1A P08908 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
SCHEMBL4959994 0.88 SCN1A (0.49) LMNAMAPK1TSHRALDH1A1SCN1A
SCHEMBL4957260 0.77 LMNA (0.52) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4959745 0.74 MAPT (0.55) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4960927 0.73 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4958312 0.73 SMN1; SMN2 (0.56) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4958732 0.73 MAPT (0.50) PDE4APDE4BPDE4CPDE4DLMNA
Hydrochloric Acid SCHEMBL4961819 0.73 SMN1; SMN2 (0.55) PDE4APDE4BPDE4CPDE4DLMNA
Hydrochloric Acid SCHEMBL4960041 0.73 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4958854 0.71 LMNA (0.50) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL14115053 0.69 HDAC6 (0.47) PDE4APDE4BPDE4CPDE4DLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 — — WO claimed
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 — — WO disclosed
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 — — WO disclosed
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