SCHEMBL6073359

SCHEMBL6073359

Cc1ccccc1N(C)CCc1sc2ccccc2c1Cc1cccc(O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 13/20 0.47
CYP2D6 P10635 6/20 0.43
CHRM1 P11229 5/20 0.43
HTR2A P28223 1/20 0.43
KCNH2 Q12809 4/20 0.37
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL4850682 0.86 HRH1 (0.61) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL4842386 0.71 HRH1 (0.76) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL4851107 0.65 HRH1 (0.66) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL4847813 0.64 HRH1 (1.00) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL4850242 0.63 HRH1 (0.79) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL6073265 0.62 HRH1 (0.61) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL4850470 0.62 HRH1 (0.67) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL6072764 0.62 HRH1 (0.65) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL6072589 0.62 HRH1 (0.59) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL4850999 0.61 HRH1 (0.60) HRH1CYP2D6CHRM1HTR2AKCNH2

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-2006019497-A2 SLEEP-INDUCING COMPOUNDS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2006-02-23 WO claimed