SCHEMBL4776952

SCHEMBL4776952

Cc1ccccc1C(C(N)C=O)N1CCN(c2cc(Cl)ccc2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
MAPT P10636 6/20 0.43
TSHR P16473 1/20 0.42
AVPR1A P37288 1/20 0.41
TP53 P04637 3/20 0.41
USP2 O75604 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MC4R P32245 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4771297 0.88 NPSR1 (0.46) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL4776587 0.83 KDM4E (0.45) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL4779189 0.82 NPSR1 (0.43) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL4776309 0.79 NPSR1 (0.42) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL4773595 0.78 ALDH1A1 (0.43) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL4770304 0.76 NPSR1 (0.39) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL4778604 0.74 NPSR1 (0.46) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL4770624 0.74 LMNA (0.46) LMNANPSR1ALDH1A1MAPTTP53
SCHEMBL4775611 0.73 NPSR1 (0.45) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL4609707 0.72 MAPT (0.47) LMNANPSR1ALDH1A1MEN1KMT2A

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