SCHEMBL13870569

SCHEMBL13870569

OCCc1ccc2c(c1)C(=C1CCNCC1)c1ccc(Cl)cc1CO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.43
HTR2B P41595 3/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
ADRB2 P07550 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
ABCB1 P08183 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43

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
SCHEMBL13870554 0.87 HRH1 (0.39) HRH1HRH4
SCHEMBL13870474 0.79 HRH1 (0.53) HRH1HTR2BHTR2AHTR2CMEN1
SCHEMBL13870567 0.78 KCNH2 (0.60) HRH1HTR2AHTR2CKCNH2FNTA
SCHEMBL13870568 0.78 KCNH2 (0.49) HRH1HTR2BHTR2AMEN1LMNA
SCHEMBL13870536 0.78 HRH1 (0.40) HRH1LMNAHRH4
SCHEMBL12065131 0.73 HRH1 (0.51) HRH1HTR2BHTR2AHTR2CMEN1
SCHEMBL13888661 0.70 SLC6A15 (0.53) HRH1HTR2BHTR2AMEN1LMNA
SCHEMBL13870570 0.69 SLC6A15 (0.39) HRH1HTR2BHTR2AMEN1LMNA
SCHEMBL14570528 0.68 HTR2B (0.45) HRH1HTR2BHTR2AHTR2CMEN1
SCHEMBL13870558 0.67 KCNH2 (0.46) HRH1TBXA2RADRA1AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-7482460-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2009-01-27 US disclosed
US-7482460-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2009-01-27 US disclosed
US-7411069-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-08-12 US disclosed
US-7411069-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-08-12 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-7326721-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-02-05 US disclosed
US-7326721-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-02-05 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed