SCHEMBL300256

SCHEMBL300256

O=C(O)C([C@@H]1CCOC1)[C@H]1CN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CCN1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.55
DRD4 P21917 7/20 0.47
HTR2A P28223 7/20 0.47
ADRA2A P08913 6/20 0.47
HTR2C P28335 5/20 0.47
HTR1A P08908 5/20 0.47
DRD2 P14416 4/20 0.47
HRH2 P25021 3/20 0.47
HRH1 P35367 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CHRM2 P08172 3/20 0.47
CHRM4 P08173 3/20 0.47
CHRM5 P08912 3/20 0.47
CHRM1 P11229 3/20 0.47
CHRM3 P20309 3/20 0.47
DRD1 P21728 3/20 0.47
KCNH2 Q12809 3/20 0.47
MEN1 O00255 2/20 0.47

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
SCHEMBL300255 1.00 HRH4 (0.55) HRH4DRD4HTR2AADRA2AHTR2C
SCHEMBL311009 0.95 HRH4 (0.56) HRH4DRD4HTR2AADRA2AHTR2C
SCHEMBL311008 0.95 HRH4 (0.56) HRH4DRD4HTR2AADRA2AHTR2C
SCHEMBL312160 0.90 HRH4 (0.58) HRH4DRD4HTR2AADRA2AHTR2C
SCHEMBL312159 0.90 HRH4 (0.58) HRH4DRD4HTR2AADRA2AHTR2C
SCHEMBL301301 0.84 HRH4 (0.55) HRH4DRD4HTR2AADRA2AHTR2C
SCHEMBL301300 0.84 HRH4 (0.55) HRH4DRD4HTR2AADRA2AHTR2C
SCHEMBL301385 0.84 HRH4 (0.55) HRH4DRD4HTR2AADRA2AHTR2C
SCHEMBL301386 0.84 HRH4 (0.55) HRH4DRD4HTR2AADRA2AHTR2C
SCHEMBL172273 0.84 HRH4 (0.62) HRH4DRD4HTR2AADRA2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137180-B1 DIBENZO [B,F][1,4] OXAZAPINE COMPOUNDS ARYX THERAPEUTICS INC (US) 2012-03-07 EP claimed
US-8093237-B2 11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazapine compounds; psychological disorders, sleep disorders; antipsychotic agents that modulate monoaminergic neurotransmitter receptor subtypes; side effect reduction ARYX THERAPEUTICS, INC. (US) 2012-01-10 US claimed