SCHEMBL4747823

SCHEMBL4747823

Fc1ccccc1C1(c2noc(CNCCN3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
DRD4 P21917 1/20 0.40
GRM2 Q14416 1/20 0.40
CACNA1G O43497 4/20 0.38
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMO Q99835 3/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
MEN1 O00255 1/20 0.34
HSD11B1 P28845 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
SCHEMBL4744984 0.90 HTR7 (0.46) HTR7DRD4GRM2CACNA1GLMNA
SCHEMBL4744148 0.86 HTR7 (0.44) HTR7DRD4GRM2CACNA1GLMNA
SCHEMBL4748749 0.86 HTR7 (0.43) HTR7DRD4GRM2CACNA1GLMNA
SCHEMBL4748724 0.85 HTR7 (0.45) HTR7DRD4GRM2LMNAHTT
SCHEMBL4823970 0.85 HTR7 (0.45) HTR7DRD4GRM2LMNASMN1; SMN2
SCHEMBL4746801 0.85 HTR7 (0.46) HTR7DRD4GRM2LMNASMN1; SMN2
SCHEMBL4744228 0.84 HTR7 (0.43) HTR7DRD4GRM2CACNA1GLMNA
SCHEMBL4748288 0.84 HTR7 (0.43) HTR7DRD4GRM2LMNASMN1; SMN2
SCHEMBL4748632 0.84 HTR7 (0.43) HTR7DRD4GRM2CACNA1GLMNA
SCHEMBL4744953 0.83 HTR7 (0.43) HTR7DRD4GRM2CACNA1GLMNA

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