SCHEMBL4748294

SCHEMBL4748294

FC(F)(F)c1ccc(C2CCN(CCNCc3nc(C4(c5ccc(Cl)cc5)CCC4)no3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD11B1 P28845 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
CCR1 P32246 1/20 0.37
DRD2 P14416 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
GRM2 Q14416 2/20 0.35
DRD4 P21917 1/20 0.35
HTT P42858 1/20 0.35
PRCP P42785 1/20 0.34
OPRL1 P41146 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MCHR1 Q99705 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
SCHEMBL4747652 0.93 KMT2A (0.52) KMT2AMEN1ALDH1A1HTR1AHTR2A
SCHEMBL4746736 0.91 MEN1 (0.49) KMT2AMEN1ALDH1A1HSD11B1HTR1A
SCHEMBL4744996 0.91 DRD2 (0.46) KMT2AMEN1ALDH1A1HTR1AHTR2A
SCHEMBL4744655 0.89 DRD2 (0.46) KMT2AMEN1ALDH1A1DRD2LMNA
SCHEMBL4745089 0.88 DRD2 (0.45) KMT2AMEN1ALDH1A1DRD2LMNA
SCHEMBL8212437 0.87 MEN1 (0.63) KMT2AMEN1ALDH1A1HSD11B1DRD2
SCHEMBL4747795 0.87 DRD2 (0.47) KMT2AMEN1ALDH1A1DRD2GRM2
SCHEMBL4746791 0.87 KMT2A (0.51) KMT2AMEN1ALDH1A1HTR1AHTR2A
SCHEMBL4745009 0.86 MEN1 (0.40) KMT2AMEN1ALDH1A1HSD11B1HTR2A
SCHEMBL4748180 0.86 MEN1 (0.40) KMT2AMEN1ALDH1A1HSD11B1HTR2A

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