SCHEMBL4746757

SCHEMBL4746757

FC(F)(F)c1cccc(C2CCN(CCNCc3nc(C4(c5cccc(Cl)c5)CCCC4)no3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.43
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM2 Q14416 3/20 0.39
DRD4 P21917 2/20 0.39
CCR5 P51681 1/20 0.38
HTT P42858 1/20 0.38
CHRM4 P08173 1/20 0.38
CACNA1G O43497 3/20 0.37
TACR1 P25103 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
S1PR1 P21453 1/20 0.34
DRD3 P35462 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL4813265 0.98 DRD2 (0.43) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4744655 0.93 DRD2 (0.46) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4745089 0.93 DRD2 (0.45) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4747666 0.92 DRD2 (0.46) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4744996 0.92 DRD2 (0.46) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4747167 0.92 DRD2 (0.44) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4744215 0.90 DRD2 (0.42) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4747795 0.90 DRD2 (0.47) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4748316 0.90 MEN1 (0.46) DRD2ALDH1A1MEN1KMT2AGRM2
SCHEMBL4748342 0.89 DRD2 (0.44) DRD2ALDH1A1MEN1KMT2AGRM2

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