SCHEMBL12464209

SCHEMBL12464209

CC(N)C(=O)N1CCN(C2=Nc3ccc(O)cc3Sc3ccccc32)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.47
DRD2 P14416 4/20 0.45
CHRM1 P11229 3/20 0.42
LMNA P02545 2/20 0.42
CHRM2 P08172 2/20 0.42
HTR1A P08908 2/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
CHRM3 P20309 2/20 0.42
DRD1 P21728 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
ADRA1A P35348 2/20 0.42
HRH1 P35367 2/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
HTR2B P41595 2/20 0.42
KCNH2 Q12809 2/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL12395971 0.92 HRH4 (0.45) HRH4DRD2CHRM1LMNACHRM2
SCHEMBL2159635 0.92 HRH4 (0.45) HRH4DRD2CHRM1LMNACHRM2
SCHEMBL2158842 0.92 HRH4 (0.45) HRH4DRD2CHRM1LMNACHRM2
SCHEMBL2159639 0.92 HRH4 (0.45) HRH4DRD2CHRM1LMNACHRM2
SCHEMBL2158837 0.92 HRH4 (0.45) HRH4DRD2CHRM1LMNACHRM2
SCHEMBL2381014 0.86 KDM4E (0.52) HRH4DRD2CHRM1LMNACHRM2
SCHEMBL2158631 0.86 AKT1 (0.45) HRH4DRD2CHRM1LMNACHRM2
SCHEMBL12395979 0.86 AKT1 (0.45) HRH4DRD2CHRM1LMNACHRM2
SCHEMBL2158626 0.86 AKT1 (0.45) HRH4DRD2CHRM1LMNACHRM2
SCHEMBL2159125 0.86 AKT1 (0.45) HRH4DRD2CHRM1LMNACHRM2

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-2011082076-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME KEMPHARM, INC. (US) 2011-07-07 WO disclosed