SCHEMBL4744647

SCHEMBL4744647

FC(F)(F)c1cccc(CN2CCN(CCNCc3nc(C4(c5ccc(Cl)cc5)CCC4)no3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CACNA1G O43497 3/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.37
OPRL1 P41146 2/20 0.36
KCNH2 Q12809 2/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
LMNA P02545 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36

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
SCHEMBL4747027 0.98 ALDH1A1 (0.40) KDM4EALDH1A1GAACACNA1GMEN1
SCHEMBL4748172 0.98 ALDH1A1 (0.42) KDM4EALDH1A1GAACACNA1GMEN1
SCHEMBL4744706 0.97 CACNA1G (0.41) KDM4EALDH1A1GAACACNA1GMEN1
SCHEMBL4746823 0.94 CACNA1G (0.39) KDM4EALDH1A1GAACACNA1GMEN1
SCHEMBL4802218 0.93 KDM4E (0.40) KDM4EALDH1A1GAACACNA1GMEN1
SCHEMBL4744345 0.93 CACNA1G (0.43) KDM4EALDH1A1GAACACNA1GMEN1
SCHEMBL4744963 0.92 KDM4E (0.40) KDM4EALDH1A1GAACACNA1GMEN1
SCHEMBL4748785 0.91 CACNA1G (0.43) KDM4EALDH1A1GAACACNA1GMEN1
SCHEMBL4748756 0.91 MEN1 (0.47) KDM4EALDH1A1GAACACNA1GMEN1
SCHEMBL4747842 0.90 CACNA1G (0.43) KDM4EALDH1A1GAACACNA1GMEN1

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-2008117148-A1 SUBSTITUTED OXADIAZOLE ANALOGS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-10-02 WO disclosed