SCHEMBL3345819

SCHEMBL3345819

CCCCOC(=O)N1CCC(c2ccc(OC)c(N)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.56
QDPR P09417 1/20 0.46
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
TRPC6 Q9Y210 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL20522882 0.91 PDE4B (0.56) PDE4BQDPRPDE4APDE4CPDE4D
SCHEMBL30376364 0.83 LMNA (0.49) PDE4BPDE4DCHRM2CHRM1POLB
SCHEMBL3317065 0.80 PDE4B (0.62) PDE4BQDPRPDE4APDE4CPDE4D
SCHEMBL22659030 0.78 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL29742014 0.78 TRPC6 (0.50) PDE4BTRPC6CHRM2CHRM1POLB
SCHEMBL8922008 0.78 CHRM4 (0.59) CHRM2CHRM1POLBLMNASMN1; SMN2
SCHEMBL21273836 0.77 TRPC6 (0.66) TRPC6
SCHEMBL9172873 0.77 CHRM4 (0.47) PDE4BCHRM2CHRM1POLBLMNA
SCHEMBL4969308 0.76 LMNA (0.46) PDE4BCHRM2CHRM1POLBLMNA
SCHEMBL2025839 0.76 PDE4B (0.53) PDE4BPDE4DCHRM2POLBLMNA

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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed