SCHEMBL4748620

SCHEMBL4748620

Fc1ccccc1C1(c2noc(CNCCN3CCC(c4cccc(C(F)(F)F)c4)CC3)n2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD4 P21917 1/20 0.41
GRM2 Q14416 1/20 0.41
CACNA1G O43497 3/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR2 P41597 2/20 0.37
CHRM4 P08173 1/20 0.36
MCHR1 Q99705 2/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
KDM4A O75164 1/20 0.33
KDM4B O94953 1/20 0.33
KDM5C P41229 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
SCHEMBL4747666 0.90 DRD2 (0.46) DRD2DRD4GRM2CACNA1GHTT
SCHEMBL4747167 0.88 DRD2 (0.44) DRD2DRD4GRM2CACNA1GHTT
SCHEMBL4744655 0.86 DRD2 (0.46) DRD2DRD4GRM2CACNA1GHTT
SCHEMBL4748322 0.86 CACNA1G (0.41) DRD4CACNA1GHTTMEN1ALDH1A1
SCHEMBL4745089 0.86 DRD2 (0.45) DRD2DRD4GRM2CACNA1GHTT
SCHEMBL4746757 0.86 DRD2 (0.43) DRD2DRD4GRM2CACNA1GHTT
SCHEMBL4744996 0.85 DRD2 (0.46) DRD2DRD4GRM2CACNA1GHTT
SCHEMBL4744949 0.85 KMT2A (0.52) DRD2DRD4GRM2CACNA1GHTT
SCHEMBL4746781 0.84 MEN1 (0.46) DRD2DRD4GRM2CACNA1GHTT
SCHEMBL4748316 0.84 MEN1 (0.46) DRD2DRD4GRM2CACNA1GHTT

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