SCHEMBL4746151

SCHEMBL4746151

Cc1ccc(N)c(NC2CCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
BRD4 O60885 1/20 0.48
EPHX2 P34913 1/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR119 Q8TDV5 2/20 0.46
KMT2A Q03164 1/20 0.46
HDAC3 O15379 1/20 0.46
USP30 Q70CQ3 6/20 0.46
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
BTK Q06187 1/20 0.45
PIK3CD O00329 1/20 0.44

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
SCHEMBL606031 0.93 ALDH1A1 (0.55) HDAC1HDAC2BRD4EPHX2ALDH1A1
SCHEMBL14247337 0.88 USP30 (0.56) HDAC1HDAC2BRD4ALDH1A1NPC1
SCHEMBL15342507 0.88 USP30 (0.56) HDAC1HDAC2BRD4ALDH1A1NPC1
SCHEMBL15342512 0.88 USP30 (0.56) HDAC1HDAC2BRD4ALDH1A1NPC1
SCHEMBL4746559 0.87 HDAC1 (0.48) HDAC1HDAC2EPHX2ALDH1A1NPC1
SCHEMBL29847380 0.86 HDAC1 (0.48) HDAC1HDAC2BRD4ALDH1A1NPC1
SCHEMBL29847387 0.86 HDAC1 (0.48) HDAC1HDAC2BRD4ALDH1A1NPC1
SCHEMBL18928571 0.85 USP30 (0.53) HDAC1HDAC2BRD4ALDH1A1NPC1
SCHEMBL28580589 0.85 USP30 (0.53) HDAC1HDAC2BRD4ALDH1A1NPC1
SCHEMBL16895642 0.85 USP30 (0.50) HDAC1HDAC2BRD4EPHX2ALDH1A1

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
WO-2008119712-A1 BENZOIMIDAZOLE DERIVATIVES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119712-A1 BENZOIMIDAZOLE DERIVATIVES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed