SCHEMBL8519165

SCHEMBL8519165

CN1CCN(c2ccccc2/C=C2\C(=O)NCN2c2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
ADRA2C P18825 1/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
DRD3 P35462 4/20 0.36
DRD2 P14416 3/20 0.36
DRD4 P21917 2/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36

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
SCHEMBL8519173 1.00 MEN1 (0.49) MEN1KMT2ANPBWR1MCHR1ALDH1A1
SCHEMBL5606338 0.86 KMT2A (0.46) MEN1KMT2ANPBWR1MCHR1ALDH1A1
SCHEMBL5606347 0.86 KMT2A (0.46) MEN1KMT2ANPBWR1MCHR1ALDH1A1
SCHEMBL5606437 0.83 MEN1 (0.45) MEN1KMT2ANPBWR1MCHR1ALDH1A1
SCHEMBL5606438 0.83 MEN1 (0.45) MEN1KMT2ANPBWR1MCHR1ALDH1A1
SCHEMBL6431240 0.79 MEN1 (0.45) MEN1KMT2ANPBWR1MCHR1ALDH1A1
SCHEMBL6431236 0.79 MEN1 (0.45) MEN1KMT2ANPBWR1MCHR1ALDH1A1
SCHEMBL5605947 0.78 MEN1 (0.44) MEN1KMT2ANPBWR1MCHR1ALDH1A1
SCHEMBL5605945 0.78 MEN1 (0.44) MEN1KMT2ANPBWR1MCHR1ALDH1A1
SCHEMBL5605991 0.77 MEN1 (0.43) MEN1KMT2ANPBWR1MCHR1ALDH1A1

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
EP-0929528-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. (US) 1999-07-21 EP disclosed
WO-1998014433-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. (US) 1998-04-09 WO disclosed