SCHEMBL4775561

SCHEMBL4775561

NC(C=O)C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
CACNA1G O43497 4/20 0.41
KCNH2 Q12809 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CCR1 P32246 1/20 0.39
GAA P10253 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL4778352 0.89 ALDH1A1 (0.40) MAPTKCNH2MEN1KMT2AATM
SCHEMBL4773088 0.89 SIGMAR1 (0.36) MAPTMEN1KMT2ASIGMAR1
SCHEMBL4773571 0.84 CNR1 (0.48) CACNA1G
SCHEMBL4778381 0.84 LSS (0.40) CACNA1GMEN1KMT2ASIGMAR1
SCHEMBL4776397 0.83 CYP3A4 (0.52) MAPTKCNH2MEN1KMT2AGAA
SCHEMBL4776514 0.81 SIGMAR1 (0.36) SIGMAR1
SCHEMBL4778576 0.80 FAAH (0.47) KCNH2
SCHEMBL4771297 0.73 NPSR1 (0.46) MAPTMEN1KMT2AATM
SCHEMBL4774991 0.71 LMNA (0.39) MAPTKCNH2SIGMAR1
SCHEMBL4779187 0.70 MAPT (0.42) MAPTMEN1KMT2AGAA

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-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO disclosed