SCHEMBL17690705

SCHEMBL17690705

Cc1ccccc1NC(=O)CCCNC(=O)N1CCC2CCCCC2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ITGB1 P05556 2/20 0.42
ITGA4 P13612 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL770384 0.80 HRH3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL772211 0.79 AR (0.53) MAPTGAAL3MBTL1KMT2AALDH1A1
SCHEMBL770878 0.79 NAMPT (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL770746 0.79 NAMPT (0.57) L3MBTL1TSHREPHX2
SCHEMBL771000 0.76 CCR3 (0.49) HDAC1HDAC8HDAC6KMT2AALDH1A1
SCHEMBL770438 0.75 NAMPT (0.62) GAAL3MBTL1EPHX2
SCHEMBL770719 0.75 EPHX2 (0.46) ALDH1A1EPHX2
SCHEMBL769722 0.75 NPC1 (0.46) L3MBTL1KMT2AMEN1
SCHEMBL770576 0.74 EPHX2 (0.49) GAATSHREPHX2
SCHEMBL770386 0.73 HRH3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed