SCHEMBL4744882

SCHEMBL4744882

FC(F)(F)c1ccc(N2CCN(CCNCc3nc(C4(c5ccc(Cl)cc5)CCOCC4)no3)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.37
KMT2A Q03164 1/20 0.36
DRD4 P21917 1/20 0.36
GRM2 Q14416 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 2/20 0.35
CACNA1G O43497 2/20 0.35
ALOX5AP P20292 1/20 0.35
CXCR3 P49682 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMO Q99835 1/20 0.34

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
SCHEMBL4823970 0.94 HTR7 (0.45) HTR7L3MBTL1KMT2ADRD4GRM2
SCHEMBL4748288 0.94 HTR7 (0.43) HTR7L3MBTL1KMT2ADRD4GRM2
SCHEMBL4747101 0.93 HTR7 (0.41) HTR7KMT2ADRD4GRM2LMNA
SCHEMBL4746801 0.93 HTR7 (0.46) HTR7L3MBTL1KMT2ADRD4GRM2
SCHEMBL4744950 0.88 HTR7 (0.42) HTR7KMT2ADRD4GRM2SMN1; SMN2
SCHEMBL4744148 0.87 HTR7 (0.44) HTR7KMT2ADRD4GRM2LMNA
SCHEMBL4748632 0.86 HTR7 (0.43) HTR7KMT2ADRD4GRM2LMNA
SCHEMBL4748724 0.86 HTR7 (0.45) HTR7L3MBTL1KMT2ADRD4GRM2
SCHEMBL4744984 0.86 HTR7 (0.46) HTR7KMT2ADRD4GRM2LMNA
SCHEMBL4748105 0.85 HTR7 (0.41) HTR7KMT2ADRD4GRM2LMNA

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