SCHEMBL4744953

SCHEMBL4744953

COc1ccc(C2(c3noc(CNCCN4CCN(c5ccc(C(F)(F)F)cn5)CC4)n3)CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.43
CACNA1G O43497 2/20 0.38
ALOX5AP P20292 2/20 0.38
DRD4 P21917 1/20 0.37
GRM2 Q14416 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 4/20 0.36
CXCR3 P49682 3/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.35
SMO Q99835 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
SCHEMBL4748174 0.98 HTR7 (0.42) HTR7CACNA1GALOX5APDRD4GRM2
SCHEMBL4748105 0.97 HTR7 (0.41) HTR7CACNA1GALOX5APDRD4GRM2
SCHEMBL4748724 0.92 HTR7 (0.45) HTR7ALOX5APDRD4GRM2HTT
SCHEMBL4744319 0.91 HTR7 (0.42) HTR7CACNA1GALOX5APDRD4GRM2
SCHEMBL4748632 0.90 HTR7 (0.43) HTR7CACNA1GALOX5APDRD4GRM2
SCHEMBL4823970 0.90 HTR7 (0.45) HTR7ALOX5APDRD4GRM2SMN1; SMN2
SCHEMBL4744984 0.90 HTR7 (0.46) HTR7CACNA1GALOX5APDRD4GRM2
SCHEMBL4747631 0.90 SMN1; SMN2 (0.43) HTR7CACNA1GALOX5APDRD4GRM2
SCHEMBL4746801 0.89 HTR7 (0.46) HTR7ALOX5APDRD4GRM2SMN1; SMN2
SCHEMBL4748288 0.89 HTR7 (0.43) HTR7ALOX5APDRD4GRM2SMN1; SMN2

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