SCHEMBL4553804

SCHEMBL4553804

CC(CN(C)C)Oc1ccc(-c2cccc(-c3ccccn3)n2)c(C2CCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.35
FEN1 P39748 2/20 0.35
ALOX5AP P20292 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
ALPL P05186 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
CCR1 P32246 1/20 0.35
HTT P42858 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDK2 Q15119 2/20 0.34

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
SCHEMBL251144 0.85 NOS1 (0.42) TOP1FEN1ALOX5AP
SCHEMBL220602 0.81 NOS1 (0.46) TOP1CHEK1KCNH2
SCHEMBL6585159 0.69 NOS1 (0.59) FEN1ALOX5AP
SCHEMBL7073279 0.69 NOS3 (0.38) FEN1ALOX5AP
SCHEMBL6584246 0.67 NOS1 (0.59) FEN1ALOX5AP
SCHEMBL17315088 0.66 HRH3 (0.55)
SCHEMBL958723 0.65 NOS1 (0.53) FEN1ALOX5AP
SCHEMBL252481 0.64 NOS1 (0.48)
SCHEMBL7080269 0.64 NOS1 (0.41) FEN1ALOX5AP
SCHEMBL13996840 0.63 CCR1 (0.47) LMNAL3MBTL1KDM4ETP53ALPL

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
WO-2009158646-A1 THERAPEUTIC COMPUNDS AND RELATED METHODS OF USE ELIXIR PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed