SCHEMBL4746323

SCHEMBL4746323

Cc1ccc(N)c(NC2(C)CCN(C(=O)O)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.40
HDAC2 Q92769 7/20 0.38
HDAC3 O15379 3/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL4746913 0.83 HDAC2 (0.52) HDAC1HDAC2
SCHEMBL4746557 0.81 MAPT (0.41)
SCHEMBL4746560 0.81 MAPT (0.41)
SCHEMBL23236208 0.71 HDAC1 (0.38) HDAC1HDAC2HDAC3
SCHEMBL27029836 0.70 MAPT (0.40) HDAC1HDAC2HDAC3
SCHEMBL2590028 0.70 HDAC2 (0.51) HDAC1HDAC2HDAC3
SCHEMBL15551319 0.69 HDAC2 (0.51) HDAC1HDAC2HDAC3HTT
SCHEMBL5368473 0.69 DRD2 (0.55) HTTL3MBTL1
SCHEMBL4746315 0.69 TP53 (0.37) HDAC1HDAC2HDAC3
SCHEMBL3958147 0.68 HTT (0.44) HTTL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008119718-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed