SCHEMBL6072986

SCHEMBL6072986

Cc1ccc2c(CC(O)c3ccccn3)c(CCN(C)C)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 15/20 0.50
CYP2D6 P10635 11/20 0.50
KCNH2 Q12809 8/20 0.50
CHRM1 P11229 7/20 0.50
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM3 P20309 2/20 0.42
LMNA P02545 1/20 0.39
HTR2A P28223 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
SCHEMBL4846590 0.80 HRH1 (0.78) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4846478 0.80 HRH1 (0.78) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4843783 0.80 HRH1 (0.78) HRH1CYP2D6KCNH2CHRM1
SCHEMBL6072710 0.80 HRH1 (0.51) HRH1CYP2D6KCNH2CHRM1HTR2A
SCHEMBL6072704 0.80 HRH1 (0.58) HRH1CYP2D6KCNH2CHRM1
SCHEMBL6072703 0.80 HRH1 (0.52) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4844659 0.73 HRH1 (0.44) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4847748 0.73 HRH1 (0.44) HRH1CYP2D6KCNH2CHRM1CHRM2
SCHEMBL4849055 0.73 HRH1 (0.77) HRH1CYP2D6KCNH2CHRM1
SCHEMBL6072847 0.72 HRH1 (0.45) HRH1CYP2D6KCNH2CHRM1CHRM2

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 disclosed