SCHEMBL5606418

SCHEMBL5606418

CN1CCN(c2ccccc2C=C2CN(c3ccc(Cl)cc3)C(C)(C)CN2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
DRD2 P14416 4/20 0.35
DRD3 P35462 3/20 0.35
ADRA2C P18825 1/20 0.34
POLB P06746 1/20 0.34
DRD4 P21917 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
AMPD2 Q01433 1/20 0.32

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
SCHEMBL8519710 0.82 MEN1 (0.42) KMT2AMEN1NPBWR1MCHR1DRD2
SCHEMBL5605981 0.78 KMT2A (0.44) KMT2AMEN1NPBWR1MCHR1DRD2
SCHEMBL5605982 0.78 KMT2A (0.44) KMT2AMEN1NPBWR1MCHR1DRD2
SCHEMBL6172339 0.77 KMT2A (0.43) KMT2AMEN1NPBWR1MCHR1DRD2
SCHEMBL27413797 0.76 KMT2A (0.40) KMT2AMEN1NPBWR1MCHR1DRD2
SCHEMBL6252738 0.73 MAPT (0.40) KMT2AMEN1DRD2DRD3ADRA2C
SCHEMBL5606234 0.72 KMT2A (0.44) KMT2AMEN1NPBWR1MCHR1DRD2
SCHEMBL5606233 0.72 KMT2A (0.44) KMT2AMEN1NPBWR1MCHR1DRD2
SCHEMBL5606438 0.70 MEN1 (0.45) KMT2AMEN1NPBWR1MCHR1DRD2
SCHEMBL5606437 0.70 MEN1 (0.45) KMT2AMEN1NPBWR1MCHR1DRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007026219-A2 COMBINATIONS OF A 5-HT1B ANTAGONIST WITH A NORADRENALIN RE-UPTAKE INHIBITOR OR A SEROTONIN NORADRENALIN REUTAKE INHIBITOR FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-03-08 WO disclosed
EP-1562908-A1 QUINOLINE DERIVATIVES Pfizer Products Inc. (US) 2005-08-17 EP disclosed
WO-2004043929-A1 QUINOLINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-05-27 WO disclosed