SCHEMBL4748337

SCHEMBL4748337

Cc1cccc(C2(c3noc(CNCCN4CCN(c5ccc(C(F)(F)F)cn5)CC4)n3)CCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
DRD4 P21917 1/20 0.39
GRM2 Q14416 1/20 0.39
CACNA1G O43497 5/20 0.39
ALOX5AP P20292 2/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
KMT2A Q03164 2/20 0.37
SMO Q99835 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
PHGDH O43175 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 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
SCHEMBL4746768 0.91 HTR7 (0.41) HTR7DRD4GRM2CACNA1GALOX5AP
SCHEMBL4748632 0.91 HTR7 (0.43) HTR7MAPTDRD4GRM2CACNA1G
SCHEMBL4747631 0.91 SMN1; SMN2 (0.43) HTR7KDM4EDRD4GRM2CACNA1G
SCHEMBL4748749 0.90 HTR7 (0.43) HTR7KDM4EDRD4GRM2CACNA1G
SCHEMBL4744228 0.90 HTR7 (0.43) HTR7DRD4GRM2CACNA1GALOX5AP
SCHEMBL4748724 0.89 HTR7 (0.45) HTR7MAPTDRD4GRM2ALOX5AP
SCHEMBL4744984 0.89 HTR7 (0.46) HTR7MAPTDRD4GRM2CACNA1G
SCHEMBL4744950 0.88 HTR7 (0.42) HTR7MAPTDRD4GRM2CACNA1G
SCHEMBL4744148 0.88 HTR7 (0.44) HTR7MAPTDRD4GRM2CACNA1G
SCHEMBL4748288 0.86 HTR7 (0.43) HTR7DRD4GRM2ALOX5APKMT2A

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