SCHEMBL13870570

SCHEMBL13870570

CCC(=O)ON1CCC(=C2c3ccc(Cl)cc3COc3ccc(CCOC(C)=O)cc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A15 Q9H2J7 14/20 0.39
HRH1 P35367 7/20 0.38
KCNH2 Q12809 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
CACNA1F O60840 1/20 0.38
NR1I2 O75469 1/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CHRM2 P08172 1/20 0.38
ABCB1 P08183 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL13888661 0.87 SLC6A15 (0.53) SLC6A15HRH1KCNH2MEN1NPC1
SCHEMBL13870561 0.77 ALDH1A1 (0.46) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL13870567 0.72 KCNH2 (0.60) HRH1KCNH2HTR2AFNTAFNTB
SCHEMBL13870568 0.71 KCNH2 (0.49) SLC6A15HRH1KCNH2MEN1NPC1
SCHEMBL13870466 0.70 SLC6A15 (0.62) SLC6A15HRH1KCNH2MEN1NPC1
SCHEMBL13870569 0.69 HRH1 (0.43) SLC6A15HRH1KCNH2MEN1LMNA
SCHEMBL13870542 0.68 HRH1 (0.52) SLC6A15HRH1KCNH2MEN1NPC1
SCHEMBL12065129 0.66 HRH1 (0.61) SLC6A15HRH1KCNH2MEN1NPC1
SCHEMBL10843503 0.65 ALDH1A1 (0.61) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL13870522 0.65 HRH1 (0.53) SLC6A15HRH1KCNH2MEN1NPC1

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 6 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-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-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-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed