SCHEMBL4748172

SCHEMBL4748172

FC(F)(F)c1cccc(CN2CCN(CCNCc3nc(C4(c5ccc(Cl)cc5)CCCCC4)no3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
CACNA1G O43497 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
OPRL1 P41146 2/20 0.36
KCNH2 Q12809 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 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 0.99 ALDH1A1 (0.40) ALDH1A1KDM4EGAACACNA1GSMN1; SMN2
SCHEMBL4744647 0.98 KDM4E (0.40) ALDH1A1KDM4EGAACACNA1GMEN1
SCHEMBL4744706 0.96 CACNA1G (0.41) ALDH1A1KDM4EGAACACNA1GMEN1
SCHEMBL4746823 0.93 CACNA1G (0.39) ALDH1A1KDM4EGAACACNA1GMEN1
SCHEMBL4744963 0.92 KDM4E (0.40) ALDH1A1KDM4EGAACACNA1GSMN1; SMN2
SCHEMBL4748785 0.92 CACNA1G (0.43) ALDH1A1KDM4EGAACACNA1GSMN1; SMN2
SCHEMBL4748756 0.92 MEN1 (0.47) ALDH1A1KDM4EGAACACNA1GSMN1; SMN2
SCHEMBL4802218 0.91 KDM4E (0.40) ALDH1A1KDM4EGAACACNA1GMEN1
SCHEMBL4744345 0.91 CACNA1G (0.43) ALDH1A1KDM4EGAACACNA1GMEN1
SCHEMBL4747811 0.89 CACNA1G (0.43) ALDH1A1KDM4EGAACACNA1GSMN1; SMN2

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