SCHEMBL4802218

SCHEMBL4802218

FC(F)(F)c1cccc(CN2CCN(CCNCc3nc(C4(c5cccc(Cl)c5)CCC4)no3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CACNA1G O43497 3/20 0.39
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
OPRL1 P41146 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 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
SCHEMBL4744963 0.98 KDM4E (0.40) KDM4EALDH1A1GAACACNA1GUBE2M
SCHEMBL4744647 0.93 KDM4E (0.40) KDM4EALDH1A1GAACACNA1GUBE2M
SCHEMBL4744345 0.92 CACNA1G (0.43) KDM4EALDH1A1GAACACNA1GOPRL1
SCHEMBL4747027 0.92 ALDH1A1 (0.40) KDM4EALDH1A1GAACACNA1GUBE2M
SCHEMBL4748172 0.91 ALDH1A1 (0.42) KDM4EALDH1A1GAACACNA1GUBE2M
SCHEMBL4744995 0.91 MEN1 (0.41) KDM4EALDH1A1GAACACNA1GUBE2M
SCHEMBL4748785 0.91 CACNA1G (0.43) KDM4EALDH1A1GAACACNA1GOPRL1
SCHEMBL4744706 0.90 CACNA1G (0.41) KDM4EALDH1A1GAACACNA1GUBE2M
SCHEMBL4744841 0.89 MEN1 (0.39) KDM4EALDH1A1GAACACNA1GOPRL1
SCHEMBL4744227 0.88 MEN1 (0.42) KDM4EALDH1A1GAACACNA1GUBE2M

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