SCHEMBL20569858

SCHEMBL20569858

CC(C)(C)[Si](C)(C)OCCCN1CC(Oc2ccc(I)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.40
HRH3 Q9Y5N1 7/20 0.39
MAOB P27338 6/20 0.39
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
ESR1 P03372 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
SCHEMBL20569180 0.83 CHRM2 (0.38) HRH3ESR1
SCHEMBL20568965 0.83 DUT (0.37) DUTHRH3MAOB
SCHEMBL29001700 0.74 ESR1 (0.45) ESR1
SCHEMBL20568979 0.74 APP (0.41) DUT
SCHEMBL18170322 0.74 ESR1 (0.49) HRH3ESR1
SCHEMBL31621061 0.70 APP (0.42) DUT
SCHEMBL16291964 0.69 HRH3 (0.41) HRH3
SCHEMBL21831386 0.68 DUT (0.34) DUT
SCHEMBL14862790 0.68 CHRM3 (0.37) HRH3
SCHEMBL23474991 0.67 HRH3 (0.50) HRH3MAOB

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-2018216822-A1 NOVEL IMIDAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 WO disclosed