SCHEMBL4744228

SCHEMBL4744228

FC(F)(F)c1ccc(N2CCN(CCNCc3nc(C4(c5cccc(Cl)c5)CCCC4)no3)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.43
CACNA1G O43497 5/20 0.38
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
DRD4 P21917 1/20 0.37
GRM2 Q14416 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX5AP P20292 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 1/20 0.34
KMT2A Q03164 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
SCHEMBL4746768 0.98 HTR7 (0.41) HTR7CACNA1GDRD2DRD3DRD4
SCHEMBL4748749 0.92 HTR7 (0.43) HTR7CACNA1GDRD2DRD3DRD4
SCHEMBL4823970 0.91 HTR7 (0.45) HTR7DRD4GRM2LMNASMN1; SMN2
SCHEMBL4744984 0.91 HTR7 (0.46) HTR7CACNA1GDRD4GRM2LMNA
SCHEMBL4746801 0.90 HTR7 (0.46) HTR7DRD4GRM2LMNASMN1; SMN2
SCHEMBL4748337 0.90 HTR7 (0.41) HTR7CACNA1GDRD2DRD3DRD4
SCHEMBL4748288 0.89 HTR7 (0.43) HTR7DRD4GRM2LMNASMN1; SMN2
SCHEMBL4747631 0.88 SMN1; SMN2 (0.43) HTR7CACNA1GDRD2DRD3DRD4
SCHEMBL4744148 0.88 HTR7 (0.44) HTR7CACNA1GDRD4GRM2LMNA
SCHEMBL4748724 0.86 HTR7 (0.45) HTR7DRD4GRM2LMNAALOX5AP

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