SCHEMBL4747795

SCHEMBL4747795

FC(F)(F)c1cccc(C2CCN(CCNCc3nc(C4(c5ccc(Cl)cc5)CC4)no3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM2 Q14416 2/20 0.40
DRD4 P21917 1/20 0.40
HTT P42858 1/20 0.39
CACNA1G O43497 3/20 0.38
CHRM4 P08173 1/20 0.37
CCR5 P51681 1/20 0.37
MCHR1 Q99705 2/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
CCR2 P41597 2/20 0.35
PRCP P42785 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 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
SCHEMBL4744655 0.97 DRD2 (0.46) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4744996 0.97 DRD2 (0.46) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4745089 0.96 DRD2 (0.45) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4746778 0.95 DRD2 (0.44) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4748342 0.92 DRD2 (0.44) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4744777 0.92 KMT2A (0.49) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4744844 0.90 DRD2 (0.45) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4813265 0.90 DRD2 (0.43) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4746757 0.90 DRD2 (0.43) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4744961 0.90 DRD2 (0.43) DRD2ALDH1A1GRM2DRD4HTT

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