SCHEMBL300281

SCHEMBL300281

CCC[C@@](CC)(C(=O)O)C1CN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CCN1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.59
HTR2A P28223 8/20 0.50
HRH1 P35367 6/20 0.50
HTR2C P28335 5/20 0.50
DRD4 P21917 5/20 0.50
ADRA2A P08913 4/20 0.50
HTR1A P08908 4/20 0.50
DRD2 P14416 3/20 0.50
HRH2 P25021 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
PMP22 Q01453 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ADRB2 P07550 2/20 0.50
CHRM2 P08172 2/20 0.50
CHRM4 P08173 2/20 0.50

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
SCHEMBL300581 1.00 HRH4 (0.59) HRH4HTR2AHRH1HTR2CDRD4
SCHEMBL300511 1.00 HRH4 (0.59) HRH4HTR2AHRH1HTR2CDRD4
SCHEMBL300258 0.95 HRH4 (0.57) HRH4HTR2AHRH1HTR2CDRD4
SCHEMBL312012 0.95 HRH4 (0.57) HRH4HTR2AHRH1HTR2CDRD4
SCHEMBL311175 0.95 HRH4 (0.57) HRH4HTR2AHRH1HTR2CDRD4
SCHEMBL121752 0.95 HRH4 (0.60) HRH4HTR2AHRH1HTR2CDRD4
SCHEMBL121751 0.95 HRH4 (0.60) HRH4HTR2AHRH1HTR2CDRD4
SCHEMBL123978 0.95 HRH4 (0.60) HRH4HTR2AHRH1HTR2CDRD4
SCHEMBL123979 0.95 HRH4 (0.60) HRH4HTR2AHRH1HTR2CDRD4
SCHEMBL121309 0.95 HRH4 (0.60) HRH4HTR2AHRH1HTR2CDRD4

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