SCHEMBL11385289

SCHEMBL11385289

COc1ccc(CC2CCCN2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.55
HTR1B P28222 2/20 0.55
CHRNB4 P30926 3/20 0.55
CHRNA3 P32297 3/20 0.55
HRH3 Q9Y5N1 4/20 0.52
HTR6 P50406 3/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
ADRA1B P35368 1/20 0.52
CHRNB1 P11230 1/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNB3 Q05901 1/20 0.51

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
SCHEMBL11499924 0.94 HRH3 (0.50) HTR1AHTR1BCHRNB4CHRNA3HRH3
Ammonia Solution, Strong SCHEMBL29771408 0.84 HTR1D (0.49) HTR1BCHRNB4CHRNA3HTR6
SCHEMBL11379154 0.83 CHRNB4 (0.66) HTR1AHTR1BCHRNB4CHRNA3HRH3
SCHEMBL13162975 0.81 HTR1D (0.52) HTR1BCHRNB4CHRNA3HRH3HTR6
SCHEMBL9414483 0.81 CHRNB4 (0.49) HTR1AHTR1BCHRNB4CHRNA3HRH3
SCHEMBL14421411 0.80 CHRNB4 (0.56) CHRNB4CHRNA3HTR6HRH1
SCHEMBL11373073 0.80 CHRNB4 (0.56) CHRNB4CHRNA3HTR6HRH1
SCHEMBL11376577 0.80 HTR6 (0.48) HTR1BHTR6CHRNB2
SCHEMBL11369857 0.80 CHRNB2 (0.54) HTR1AHTR1BCHRNB4CHRNA3HRH3
SCHEMBL11378305 0.80 ADRA1A (0.50) HTR1BCHRNB4CHRNA3HRH3HTR6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 WO disclosed
US-4279918-A ANTIDEPRESSANTS, STIMULANTS BYK GULDEN LOMBERG CHEMISCHE FABRIK G.M.B.H. (DE) 1981-07-21 US disclosed