SCHEMBL7051410

SCHEMBL7051410

Cc1c(OC(=O)Nc2ccc(N3CCN(CCO)CC3)c(C#N)c2)cnn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
POLB P06746 2/20 0.41
SMO Q99835 1/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CETP P11597 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
DRD4 P21917 2/20 0.38
AR P10275 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7114435 0.92 AR (0.43) HTR2AMAPTKDM4EALDH1A1CETP
SCHEMBL6052468 0.88 TRPV4 (0.46) POLBSMOMAPTKDM4EALDH1A1
SCHEMBL7057633 0.86 ALDH1A1 (0.42) HTR2AMAPTKDM4EALDH1A1LMNA
SCHEMBL7057696 0.85 MAPT (0.40) HTR2AMAPTKDM4EALDH1A1LMNA
SCHEMBL7056356 0.85 DRD4 (0.46) HTR2AMAPTKDM4EALDH1A1LMNA
SCHEMBL7057735 0.85 MAPT (0.41) HTR2APOLBMAPTKDM4EALDH1A1
SCHEMBL7059077 0.85 ALDH1A1 (0.41) HTR2AMAPTKDM4EALDH1A1LMNA
SCHEMBL7058704 0.84 MAPT (0.39) HTR2AMAPTKDM4EALDH1A1LMNA
SCHEMBL7062059 0.83 DRD4 (0.40) HTR2AMAPTALDH1A1LMNADRD4
SCHEMBL7055974 0.82 DRD2 (0.42) HTR2AMAPTKDM4EALDH1A1LMNA

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-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed