SCHEMBL6073225

SCHEMBL6073225

COc1ncccc1CCc1c(CCN2CCSC2)sc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 17/20 0.41
HRH1 P35367 3/20 0.40
KCNH2 Q12809 3/20 0.40
CYP2D6 P10635 2/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL6072779 0.85 NPY1R (0.41) NPY1RHRH1KCNH2CYP2D6CHRM1
SCHEMBL6072962 0.85 NPY1R (0.42) NPY1RHRH1KCNH2CYP2D6CHRM1
SCHEMBL6072928 0.80 HRH1 (0.40) NPY1RHRH1KCNH2CYP2D6CHRM1
SCHEMBL4848838 0.80 HRH1 (0.65) HRH1KCNH2CYP2D6CHRM1
SCHEMBL6072831 0.78 HRH1 (0.61) HRH1KCNH2CYP2D6CHRM1
SCHEMBL6073300 0.75 NPY1R (0.40) NPY1RHRH1KCNH2CYP2D6CHRM1
SCHEMBL4847879 0.74 HRH1 (0.65) HRH1KCNH2CYP2D6CHRM1
SCHEMBL6072974 0.72 NPY1R (0.42) NPY1RHRH1KCNH2CYP2D6CHRM1
SCHEMBL4850333 0.70 HRH1 (0.63) HRH1KCNH2CYP2D6CHRM1
SCHEMBL4843808 0.70 HRH1 (0.64) 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