SCHEMBL4747652

SCHEMBL4747652

Clc1ccc(C2CCN(CCNCc3nc(C4(c5ccc(Cl)cc5)CCC4)no3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
ALDH1A1 P00352 1/20 0.52
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
DRD2 P14416 3/20 0.41
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
SIGMAR1 Q99720 2/20 0.37
ALOX5AP P20292 3/20 0.37
HTT P42858 1/20 0.36
PARP1 P09874 1/20 0.35
CCR2 P41597 1/20 0.35
DRD3 P35462 2/20 0.35
DRD4 P21917 1/20 0.35
GRM2 Q14416 1/20 0.35
RBP1 P09455 2/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL4746736 0.96 MEN1 (0.49) KMT2AMEN1ALDH1A1HTR1AHTR2A
SCHEMBL4746791 0.93 KMT2A (0.51) KMT2AMEN1ALDH1A1HTR1AHTR2A
SCHEMBL4748294 0.93 KMT2A (0.49) KMT2AMEN1ALDH1A1HTR1AHTR2A
SCHEMBL4747161 0.91 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1HTR1AHTR2A
SCHEMBL4744225 0.89 KMT2A (0.43) KMT2AMEN1ALDH1A1HTR1AHTR2A
SCHEMBL4747821 0.87 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1HTR1AHTR2A
SCHEMBL4746822 0.87 KMT2A (0.46) KMT2AMEN1ALDH1A1HTR1AHTR2A
SCHEMBL4744996 0.87 DRD2 (0.46) KMT2AMEN1ALDH1A1HTR1AHTR2A
SCHEMBL4748236 0.87 DRD2 (0.46) KMT2AMEN1ALDH1A1DRD2MAPT
SCHEMBL4744655 0.85 DRD2 (0.46) KMT2AMEN1ALDH1A1DRD2MAPT

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