SCHEMBL4747666

SCHEMBL4747666

FC(F)(F)c1cccc(C2CCN(CCNCc3nc(C4(c5ccccc5)CCCC4)no3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD4 P21917 1/20 0.42
GRM2 Q14416 1/20 0.42
CHRM4 P08173 1/20 0.41
CACNA1G O43497 3/20 0.40
HTT P42858 1/20 0.40
S1PR1 P21453 1/20 0.39
CCR2 P41597 2/20 0.38
MCHR1 Q99705 2/20 0.36
OPRM1 P35372 2/20 0.36
OPRL1 P41146 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
CCR5 P51681 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
SCHEMBL4747167 0.93 DRD2 (0.44) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4744655 0.93 DRD2 (0.46) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4746757 0.92 DRD2 (0.43) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4745089 0.92 DRD2 (0.45) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4744949 0.92 KMT2A (0.52) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4744996 0.92 DRD2 (0.46) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4746781 0.91 MEN1 (0.46) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4813265 0.91 DRD2 (0.43) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4748316 0.91 MEN1 (0.46) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4748620 0.90 DRD2 (0.44) DRD2MEN1ALDH1A1KMT2ADRD4

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 1 patent. 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 disclosed