SCHEMBL1706499

SCHEMBL1706499

CN1C(=O)CC(CCc2ncc[nH]2)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
TBXAS1 P24557 2/20 0.37
HTR2B P41595 3/20 0.37
TERT O14746 1/20 0.36
PDE5A O76074 3/20 0.35
TAAR1 Q96RJ0 3/20 0.34
HTR1A P08908 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KAT2B Q92831 1/20 0.32
FDPS P14324 1/20 0.32

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
SCHEMBL1705486 0.76 TERT (0.46) ALOX15TBXAS1HTR2BTERTTAAR1
SCHEMBL8068830 0.71 TERT (0.42) ALOX15TBXAS1TERTTAAR1FDPS
SCHEMBL8572531 0.70 HRH3 (0.49) ALOX15TBXAS1TERTTAAR1FDPS
SCHEMBL2333857 0.70 ALOX15 (0.42) ALOX15HTR2BPDE5ATAAR1HTR1A
SCHEMBL17500052 0.68 ALOX15 (0.46) ALOX15TBXAS1TERTPDE5ATAAR1
SCHEMBL285224 0.67 TERT (0.59) ALOX15TBXAS1TERTTAAR1HTR1A
SCHEMBL16219828 0.66 BRD4 (0.42)
SCHEMBL1706497 0.66 NPC1 (0.36) ALOX15ALDH1A1
SCHEMBL8203376 0.65 TBXAS1 (0.50) ALOX15TBXAS1HTR2BTERTTAAR1
SCHEMBL2148633 0.64 TAAR1 (0.49) ALOX15TBXAS1TERTTAAR1HTR1A

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-2440519-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2012-04-18 EP claimed
WO-2010144371-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO claimed