SCHEMBL5280165

SCHEMBL5280165

O=C(COCc1ccc(F)cc1)NCCC1CCN(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.49
ACHE P22303 6/20 0.49
BRS3 P32247 1/20 0.46
ITGB2 P05107 2/20 0.45
ICAM1 P05362 2/20 0.45
ITGAL P20701 2/20 0.45
CHRM4 P08173 1/20 0.45
TACR2 P21452 3/20 0.45
TACR1 P25103 3/20 0.45
KMT2A Q03164 1/20 0.44
ACE P12821 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
SCHEMBL5280288 0.93 KMT2A (0.51) BCHEACHETACR2TACR1KMT2A
SCHEMBL5280283 0.93 KMT2A (0.51) BCHEACHETACR2TACR1KMT2A
SCHEMBL5282971 0.90 BCHE (0.47) BCHEACHEBRS3CHRM4
SCHEMBL5282975 0.90 BCHE (0.47) BCHEACHEBRS3CHRM4
SCHEMBL5282166 0.86 ACHE (0.53) BCHEACHECHRM4KMT2A
SCHEMBL5282667 0.85 BCHE (0.55) BCHEACHECHRM4TACR1KMT2A
SCHEMBL5289480 0.85 BCHE (0.56) BCHEACHECHRM4TACR1KMT2A
SCHEMBL5278655 0.83 BCHE (0.59) BCHEACHE
SCHEMBL5291489 0.82 BCHE (0.52) BCHEACHETACR1KMT2A
SCHEMBL5279913 0.80 BCHE (0.60) BCHEACHE

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-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed