SCHEMBL4744345

SCHEMBL4744345

FC(F)(F)c1cccc(CN2CCN(CCNCc3nc(C4(c5ccccc5)CCC4)no3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
FAAH O00519 1/20 0.41
CHRM3 P20309 1/20 0.41
OPRL1 P41146 2/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
KMT2A Q03164 2/20 0.38
CHRM4 P08173 1/20 0.38
MEN1 O00255 1/20 0.38
S1PR1 P21453 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4748785 0.98 CACNA1G (0.43) CACNA1GKDM4EALDH1A1GAAFAAH
SCHEMBL4744647 0.93 KDM4E (0.40) CACNA1GKDM4EALDH1A1GAAOPRL1
SCHEMBL4744995 0.92 MEN1 (0.41) CACNA1GKDM4EALDH1A1GAAOPRL1
SCHEMBL4802218 0.92 KDM4E (0.40) CACNA1GKDM4EALDH1A1GAAOPRL1
SCHEMBL4747027 0.91 ALDH1A1 (0.40) CACNA1GKDM4EALDH1A1GAAOPRL1
SCHEMBL4748756 0.91 MEN1 (0.47) CACNA1GKDM4EALDH1A1GAAOPRL1
SCHEMBL4747842 0.91 CACNA1G (0.43) CACNA1GKDM4EALDH1A1GAAOPRL1
SCHEMBL4748172 0.91 ALDH1A1 (0.42) CACNA1GKDM4EALDH1A1GAAOPRL1
SCHEMBL4744963 0.91 KDM4E (0.40) CACNA1GKDM4EALDH1A1GAAOPRL1
SCHEMBL4744841 0.90 MEN1 (0.39) CACNA1GKDM4EALDH1A1GAAOPRL1

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