SCHEMBL4748760

SCHEMBL4748760

COc1cccc(C2(c3noc(CNCCN4CCC(c5cccc(C(F)(F)F)c5)CC4)n3)CCOCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
CACNA1G O43497 2/20 0.39
DRD4 P21917 1/20 0.38
GRM2 Q14416 1/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR2 P41597 3/20 0.36
KCNH2 Q12809 1/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
CHRM4 P08173 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MCHR1 Q99705 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 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
SCHEMBL4744844 0.89 DRD2 (0.45) DRD2CACNA1GDRD4GRM2HTT
SCHEMBL4746781 0.88 MEN1 (0.46) DRD2CACNA1GDRD4GRM2HTT
SCHEMBL4748754 0.88 MEN1 (0.45) DRD2CACNA1GDRD4GRM2HTT
SCHEMBL4748736 0.88 DRD2 (0.43) DRD2CACNA1GDRD4GRM2HTT
SCHEMBL4746778 0.87 DRD2 (0.44) DRD2CACNA1GDRD4GRM2HTT
SCHEMBL4746964 0.86 DRD2 (0.46) DRD2CACNA1GDRD4GRM2HTT
SCHEMBL4748316 0.85 MEN1 (0.46) DRD2CACNA1GDRD4GRM2HTT
SCHEMBL4747666 0.85 DRD2 (0.46) DRD2CACNA1GDRD4GRM2HTT
SCHEMBL4747167 0.84 DRD2 (0.44) DRD2CACNA1GDRD4GRM2HTT
SCHEMBL4744777 0.84 KMT2A (0.49) DRD2CACNA1GDRD4GRM2HTT

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