SCHEMBL4748749

SCHEMBL4748749

Fc1cccc(C2(c3noc(CNCCN4CCN(c5ccc(C(F)(F)F)cn5)CC4)n3)CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
SMO Q99835 1/20 0.39
CACNA1G O43497 5/20 0.38
PKM P14618 1/20 0.37
DRD4 P21917 1/20 0.37
GRM2 Q14416 1/20 0.37
ALOX5AP P20292 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DGAT1 O75907 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 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
SCHEMBL4744228 0.92 HTR7 (0.43) HTR7CACNA1GDRD4GRM2ALOX5AP
SCHEMBL4744984 0.92 HTR7 (0.46) HTR7SMOCACNA1GDRD4GRM2
SCHEMBL4746768 0.90 HTR7 (0.41) HTR7CACNA1GDRD4GRM2ALOX5AP
SCHEMBL4748337 0.90 HTR7 (0.41) HTR7SMOCACNA1GDRD4GRM2
SCHEMBL4747631 0.88 SMN1; SMN2 (0.43) HTR7CACNA1GDRD4GRM2ALOX5AP
SCHEMBL4744148 0.88 HTR7 (0.44) HTR7SMOCACNA1GDRD4GRM2
SCHEMBL4823970 0.87 HTR7 (0.45) HTR7DRD4GRM2ALOX5APLMNA
SCHEMBL4748724 0.87 HTR7 (0.45) HTR7SMODRD4GRM2ALOX5AP
SCHEMBL4746801 0.86 HTR7 (0.46) HTR7DRD4GRM2ALOX5APLMNA
SCHEMBL4747823 0.86 HTR7 (0.44) HTR7SMOCACNA1GPKMDRD4

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