SCHEMBL4914932

SCHEMBL4914932

CC(CC(=O)NC(C)c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 7/20 0.61
HPGD P15428 2/20 0.61
MAPT P10636 2/20 0.61
LMNA P02545 1/20 0.61
CRHBP P24387 1/20 0.61
MAPK1 P28482 1/20 0.61
CRHR2 Q13324 1/20 0.61
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 1/20 0.56
ATM Q13315 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL7899003 0.81 ALDH1A1 (0.74) GPR139HPGDMAPTMEN1KMT2A
SCHEMBL17291601 0.79 LMNA (0.67) GPR139HPGDMAPTLMNACRHBP
SCHEMBL13998890 0.79 HPGD (0.62) HPGDLMNAALDH1A1L3MBTL1POLB
SCHEMBL15571840 0.79 LMNA (0.67) GPR139HPGDMAPTLMNACRHBP
SCHEMBL15116379 0.79 MAPT (0.63) GPR139HPGDMAPTLMNACRHBP
SCHEMBL25336878 0.79 MAPT (0.63) GPR139HPGDMAPTLMNACRHBP
SCHEMBL15131221 0.79 MAPT (0.63) GPR139HPGDMAPTLMNACRHBP
SCHEMBL15571273 0.79 LMNA (0.67) GPR139HPGDMAPTLMNACRHBP
SCHEMBL8445815 0.78 GPR139 (0.55) GPR139HPGDMAPTLMNACRHBP
SCHEMBL5907646 0.78 MAPT (0.62) GPR139HPGDMAPTLMNACRHBP

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
US-20080073221-A1 Selective Splitting of Substituted Bisbenzylamides and Bisbenzylamines BASF AKTIENGESELLSCHAFT (DE) 2008-03-27 US disclosed
EP-1853549-A1 SELECTIVE SPLITTING OF SUBSTITUTED BISBENZYLAMIDES AND BISBENZYLAMINES BASF AKTIENGESELLSCHAFT (DE) 2007-11-14 EP disclosed
WO-2006087321-A1 SELECTIVE SPLITTING OF SUBSTITUTED BISBENZYLAMIDES AND BISBENZYLAMINES BASF AKTIENGESELLSCHAFT (DE) 2006-08-24 WO disclosed