SCHEMBL3348766

SCHEMBL3348766

COc1cc(C2CCN(CC=O)C(C)C2)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.39
HTR1A P08908 3/20 0.39
SLC6A4 P31645 3/20 0.39
QDPR P09417 2/20 0.38
HTR4 Q13639 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NR3C1 P04150 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL3345349 0.82 QDPR (0.45) PDE4BQDPRHTR4ALDH1A1
SCHEMBL28096990 0.78 QDPR (0.43) PDE4BSLC6A4QDPRHTR4ALDH1A1
SCHEMBL3345688 0.77 CFB (0.41) PDE4B
SCHEMBL3345716 0.77 PDE4B (0.45) PDE4B
SCHEMBL3313062 0.77 QDPR (0.50) PDE4BQDPRNR3C1PDE4APDE4C
SCHEMBL3349380 0.74 ALDH1A1 (0.40) HTR4ALDH1A1
SCHEMBL14648374 0.72 QDPR (0.45) PDE4BQDPRALDH1A1PDE4APDE4C
SCHEMBL29517150 0.72 QDPR (0.68) PDE4BHTR1AQDPRALDH1A1PDE4A
SCHEMBL520554 0.72 QDPR (0.68) PDE4BHTR1AQDPRALDH1A1PDE4A
SCHEMBL20725583 0.71 QDPR (0.49) SLC6A4QDPRHTR4ALDH1A1

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