SCHEMBL14201244

SCHEMBL14201244

CCCCCOc1ccc2c(c1OCCCCC)CN(CCc1ccc(C)cc1)C2=O

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.83
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 2/20 0.36
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DAO P14920 1/20 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
SCHEMBL4408549 0.94 CNR2 (0.83) CNR2MEN1KMT2AMAPTALDH1A1
SCHEMBL4410691 0.91 CNR2 (1.00) CNR2MEN1KMT2AMAPTALDH1A1
SCHEMBL4551332 0.91 CNR2 (0.89) CNR2ALDH1A1TP53LMNA
Hydrochloric Acid SCHEMBL8077978 0.90 CNR2 (0.98) CNR2MEN1KMT2AMAPTALDH1A1
SCHEMBL4414684 0.89 CNR2 (0.78) CNR2MEN1KMT2AALDH1A1GAA
SCHEMBL4407867 0.89 CNR2 (0.78) CNR2MEN1KMT2AALDH1A1GAA
SCHEMBL4418658 0.87 CNR2 (0.75) CNR2
SCHEMBL4416446 0.85 CNR2 (0.73) CNR2MEN1KMT2ATSHRHTT
SCHEMBL4405983 0.85 CNR2 (1.00) CNR2
SCHEMBL4409929 0.85 CNR2 (1.00) CNR2

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
US-7358245-B2 Treatment of gastroesophageal reflux disease ASTRAZENCA AB (SE) 2008-04-15 US disclosed