SCHEMBL301364

SCHEMBL301364

CC[C@@](C)(C(=O)O)C1CN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CCN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.58
HTR2A P28223 8/20 0.58
HTR2C P28335 5/20 0.58
DRD2 P14416 4/20 0.58
DRD4 P21917 4/20 0.58
DRD3 P35462 4/20 0.58
HRH2 P25021 3/20 0.58
CHRM1 P11229 3/20 0.58
MEN1 O00255 2/20 0.58
LMNA P02545 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
PMP22 Q01453 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ADRB2 P07550 2/20 0.58
CHRM2 P08172 2/20 0.58
CHRM4 P08173 2/20 0.58
HTR1A P08908 2/20 0.58

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
SCHEMBL301315 1.00 HRH1 (0.58) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL300592 0.94 HRH4 (0.59) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL120387 0.94 HRH4 (0.59) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL300927 0.94 HRH4 (0.59) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL300241 0.94 HRH4 (0.59) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL300570 0.94 HRH4 (0.59) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL300573 0.94 HRH4 (0.59) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL300314 0.94 HRH4 (0.59) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL300091 0.94 HRH1 (0.60) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL311092 0.90 HRH1 (0.59) HRH1HTR2AHTR2CDRD2DRD4

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