SCHEMBL4747101

SCHEMBL4747101

Fc1ccc(C2(c3noc(CNCCN4CCN(c5ccc(C(F)(F)F)cn5)CC4)n3)CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.41
KDM4E B2RXH2 2/20 0.37
PKM P14618 2/20 0.37
DRD4 P21917 1/20 0.37
GRM2 Q14416 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
SMO Q99835 1/20 0.36
CACNA1G O43497 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
ALOX5AP P20292 1/20 0.35
STAT3 P40763 1/20 0.35
KMT2A Q03164 1/20 0.35
CXCR3 P49682 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL4744882 0.93 HTR7 (0.41) HTR7DRD4GRM2SMN1; SMN2LMNA
SCHEMBL4744950 0.88 HTR7 (0.42) HTR7DRD4GRM2SMN1; SMN2SMO
SCHEMBL4744148 0.88 HTR7 (0.44) HTR7DRD4GRM2SMN1; SMN2LMNA
SCHEMBL8222261 0.88 LMNA (0.43) HTR7KDM4EPKMDRD4GRM2
SCHEMBL4748632 0.87 HTR7 (0.43) HTR7DRD4GRM2SMN1; SMN2LMNA
SCHEMBL4823970 0.87 HTR7 (0.45) HTR7DRD4GRM2SMN1; SMN2LMNA
SCHEMBL4748288 0.87 HTR7 (0.43) HTR7DRD4GRM2SMN1; SMN2LMNA
SCHEMBL4748724 0.87 HTR7 (0.45) HTR7DRD4GRM2LMNASMO
SCHEMBL4744984 0.87 HTR7 (0.46) HTR7DRD4GRM2SMN1; SMN2LMNA
SCHEMBL4746801 0.86 HTR7 (0.46) HTR7DRD4GRM2SMN1; SMN2LMNA

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