SCHEMBL4852849

SCHEMBL4852849

COc1ncccc1C(=O)c1c(CCN(C)C)sc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 13/20 0.58
CYP2D6 P10635 11/20 0.58
KCNH2 Q12809 8/20 0.58
CNR2 P34972 6/20 0.48
CNR1 P21554 3/20 0.48
CHRM1 P11229 5/20 0.46
CYP3A4 P08684 1/20 0.44

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
SCHEMBL4847654 0.85 HRH1 (0.57) HRH1CYP2D6KCNH2CNR2CNR1
SCHEMBL4848844 0.80 HRH1 (0.54) HRH1CYP2D6KCNH2CNR2CNR1
SCHEMBL4848815 0.79 HRH1 (0.57) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL4851119 0.77 CNR2 (0.56) HRH1CYP2D6KCNH2CNR2CNR1
SCHEMBL4847028 0.76 HRH1 (0.58) HRH1CYP2D6KCNH2CNR2CNR1
SCHEMBL6072831 0.75 HRH1 (0.61) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL14107009 0.74 HRH1 (0.57) HRH1CYP2D6KCNH2CNR2CNR1
SCHEMBL4850652 0.74 HRH1 (0.57) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL4848857 0.74 HRH1 (0.50) HRH1CYP2D6KCNH2CNR2CNR1
SCHEMBL4850526 0.74 HRH1 (0.55) HRH1CYP2D6KCNH2CNR2CNR1

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
US-7393865-B2 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-07-01 US disclosed