SCHEMBL6072974

SCHEMBL6072974

COC1CN(CCc2sc3ccccc3c2CCc2cccnc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 18/20 0.42
HRH1 P35367 2/20 0.39
KCNH2 Q12809 2/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL6072689 0.86 NPY1R (0.39) NPY1RHRH1KCNH2CYP2D6CHRM1
SCHEMBL6072713 0.84 HRH1 (0.43) NPY1RHRH1KCNH2CYP2D6CHRM1
SCHEMBL6072711 0.83 NPY1R (0.41) NPY1RHRH1KCNH2CYP2D6CHRM1
SCHEMBL6072779 0.80 NPY1R (0.41) NPY1RHRH1KCNH2CYP2D6CHRM1
SCHEMBL4844258 0.79 HRH1 (0.63) HRH1KCNH2CYP2D6CHRM1
SCHEMBL6072761 0.78 NPY1R (0.40) NPY1R
SCHEMBL6072870 0.77 HRH1 (0.59) HRH1KCNH2CYP2D6CHRM1
SCHEMBL4851410 0.76 HRH1 (0.62) HRH1KCNH2CYP2D6CHRM1
SCHEMBL6072854 0.73 NPY1R (0.39) NPY1RHRH1KCNH2CYP2D6CHRM1
SCHEMBL4842333 0.73 HRH1 (0.73) HRH1KCNH2CYP2D6CHRM1

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