SCHEMBL4748288

SCHEMBL4748288

FC(F)(F)c1ccc(N2CCN(CCNCc3nc(C4(c5ccc(Cl)cc5)CCC4)no3)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.43
ALOX5AP P20292 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HSD11B1 P28845 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD4 P21917 1/20 0.37
GRM2 Q14416 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 2/20 0.36
CXCR3 P49682 3/20 0.35
ALDH1A1 P00352 1/20 0.35

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 0.98 HTR7 (0.45) HTR7ALOX5APL3MBTL1HSD11B1KMT2A
SCHEMBL4746801 0.98 HTR7 (0.46) HTR7ALOX5APL3MBTL1HSD11B1KMT2A
SCHEMBL4744882 0.94 HTR7 (0.41) HTR7ALOX5APL3MBTL1KMT2ADRD4
SCHEMBL4748632 0.92 HTR7 (0.43) HTR7ALOX5APHSD11B1KMT2ADRD4
SCHEMBL4747681 0.91 ALOX5AP (0.43) HTR7ALOX5APKMT2ADRD4SMN1; SMN2
SCHEMBL4746768 0.91 HTR7 (0.41) HTR7ALOX5APL3MBTL1DRD4GRM2
SCHEMBL4748724 0.91 HTR7 (0.45) HTR7ALOX5APL3MBTL1KMT2ADRD4
SCHEMBL4744984 0.91 HTR7 (0.46) HTR7ALOX5APKMT2ADRD4GRM2
SCHEMBL4748174 0.90 HTR7 (0.42) HTR7ALOX5APKMT2ADRD4GRM2
SCHEMBL4744228 0.89 HTR7 (0.43) HTR7ALOX5APL3MBTL1KMT2ADRD4

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