SCHEMBL4747161

SCHEMBL4747161

Clc1ccc(C2(c3noc(CNCCN4CCC(c5cccc(Cl)c5)CC4)n3)CCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HSD11B1 P28845 2/20 0.40
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
DRD4 P21917 1/20 0.38
GRM2 Q14416 1/20 0.38
KCNH2 Q12809 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
MCHR1 Q99705 4/20 0.36
RBP1 P09455 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 0.91 KMT2A (0.52) ALDH1A1KMT2AMEN1DRD2DRD3
SCHEMBL4748236 0.91 DRD2 (0.46) ALDH1A1KMT2AMEN1DRD2DRD3
SCHEMBL4744996 0.91 DRD2 (0.46) ALDH1A1KMT2AMEN1DRD2DRD4
SCHEMBL4744655 0.89 DRD2 (0.46) ALDH1A1KMT2AMEN1DRD2DRD4
SCHEMBL4745089 0.88 DRD2 (0.45) ALDH1A1KMT2AMEN1DRD2DRD4
SCHEMBL4746736 0.87 MEN1 (0.49) ALDH1A1KMT2AMEN1HSD11B1DRD2
SCHEMBL4747795 0.87 DRD2 (0.47) ALDH1A1KMT2AMEN1DRD2DRD4
SCHEMBL4813265 0.87 DRD2 (0.43) ALDH1A1KMT2AMEN1DRD2DRD3
SCHEMBL4744225 0.86 KMT2A (0.43) ALDH1A1KMT2AMEN1HSD11B1DRD2
SCHEMBL4748294 0.85 KMT2A (0.49) ALDH1A1KMT2AMEN1HSD11B1DRD2

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