SCHEMBL2596936

SCHEMBL2596936

CC(C)(C)OC(=O)N1CCC(Cn2cc3nccc(I)c3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
GPR119 Q8TDV5 14/20 0.44
BACE1 P56817 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
STS P08842 2/20 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
SCHEMBL2596938 0.82 GPR119 (0.45) FAAHGPR119STS
SCHEMBL2596979 0.79 TGFBR1 (0.41)
SCHEMBL27988389 0.76 KDM4E (0.51) GPR119BACE1KDM4EPKMSTS
SCHEMBL12725347 0.73 GPR119 (0.45) GPR119BACE1KDM4EPKM
SCHEMBL26151149 0.73 FPR2 (0.47) FAAHGPR119BACE1KDM4EPKM
SCHEMBL24791666 0.72 KDM4E (0.48) FAAHGPR119BACE1KDM4EPKM
SCHEMBL16227969 0.72 FPR2 (0.42) FAAHGPR119BACE1KDM4EPKM
SCHEMBL24791688 0.72 KDM4E (0.48) FAAHGPR119BACE1KDM4EPKM
SCHEMBL16228344 0.71 BACE1 (0.44) FAAHGPR119BACE1KDM4EPKM
SCHEMBL16227748 0.71 KDM4E (0.44) FAAHGPR119BACE1KDM4EPKM

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-2011146287-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 WO disclosed