SCHEMBL8132995

SCHEMBL8132995

NNC(=O)c1ccc(C2CCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.66
HDAC6 Q9UBN7 3/20 0.66
HDAC1 Q13547 1/20 0.66
MAPT P10636 3/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 2/20 0.65
HDAC3 O15379 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
DEGS1 O15121 2/20 0.54
HAO1 Q9UJM8 1/20 0.53
MPO P05164 2/20 0.52
CYP3A4 P08684 2/20 0.52
KDM5A P29375 1/20 0.52
BLM P54132 1/20 0.52
GFER P55789 1/20 0.52
PMP22 Q01453 1/20 0.52
HIF1A Q16665 1/20 0.52
KDM4E B2RXH2 2/20 0.50
OGG1 O15527 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL9892966 0.96 HDAC8 (0.71) HDAC8HDAC6HDAC1MAPTALDH1A1
SCHEMBL7332673 0.95 HDAC8 (0.69) HDAC8HDAC6HDAC1MAPTALDH1A1
SCHEMBL18811605 0.87 HDAC8 (0.59) HDAC8HDAC6HDAC1MAPTALDH1A1
SCHEMBL32669061 0.84 MAPT (0.60) HDAC8HDAC6HDAC1MAPTALDH1A1
SCHEMBL26154128 0.81 HDAC8 (0.60) HDAC8HDAC6HDAC1MAPTALDH1A1
SCHEMBL9702868 0.79 MAPT (1.00) HDAC8HDAC6HDAC1MAPTALDH1A1
SCHEMBL9702876 0.79 MAPT (1.00) HDAC8HDAC6HDAC1MAPTALDH1A1
SCHEMBL28218859 0.79 ALDH1A1 (0.45) HDAC8HDAC6HDAC1MAPTALDH1A1
SCHEMBL27316749 0.79 HDAC8 (0.62) HDAC8HDAC6HDAC1MAPTALDH1A1
SCHEMBL9860574 0.78 HDAC8 (0.60) HDAC8HDAC6HDAC1HDAC3HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166040-A Indole compounds ELI LILLY AND COMPANY LIMITED (GB) 2000-12-26 US disclosed
EP-0963983-A1 Indol-2-ones as serotonin modulators ELI LILLY AND COMPANY LIMITED (GB) 1999-12-15 EP disclosed
WO-1999058525-A1 INDOLE DERIVATIVES AS 5-HT2A LIGANDS AND AS SEROTONINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY LIMITED (GB) 1999-11-18 WO disclosed