SCHEMBL7965436

SCHEMBL7965436

CC(C)C(=O)C(CN(C)Cc1ccccc1)CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKT1 P31749 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
RIPK1 Q13546 1/20 0.39
HDAC3 O15379 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
SCHEMBL24325814 0.83 DNM1 (0.46) TSHRHTR2CSLC6A4ALDH1A1KDM4E
SCHEMBL20715723 0.81 SLC6A4 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4HTR2C
SCHEMBL8193756 0.81 HTR2C (0.43) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7190668 0.77 RIPK1 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4HTR2C
SCHEMBL23699429 0.77 CYP1A2 (0.51) HTR2CSLC6A4HPGD
SCHEMBL23719091 0.76 CTSK (0.44) HTR2CSLC6A4CTSS
SCHEMBL23699255 0.76 CTSK (0.44) HTR2CSLC6A4CTSS
SCHEMBL13215429 0.75 SIGMAR1 (0.49) L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL23699386 0.73 CTSS (0.47) HTR2CSLC6A4ALDH1A1KDM4ECTSS
SCHEMBL1529700 0.73 ATM (0.43) HTR2CSLC6A4CTSLCTSBCTSS

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-2009137462-A2 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 WO disclosed