SCHEMBL301333

SCHEMBL301333

CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)C[C@@H]1C(C(=O)O)[C@H]1CN2CCC1CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.53
DRD4 P21917 6/20 0.53
DRD2 P14416 4/20 0.53
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
PMP22 Q01453 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ABCB11 O95342 1/20 0.49
CYP2C9 P11712 1/20 0.49
BLM P54132 1/20 0.49
HTR2C P28335 5/20 0.47
ADRA2A P08913 5/20 0.47
HTR2A P28223 5/20 0.47
HRH2 P25021 3/20 0.47
HRH1 P35367 3/20 0.47
HTR1A P08908 3/20 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
SCHEMBL301332 1.00 HRH4 (0.53) HRH4DRD4DRD2MEN1LMNA
SCHEMBL311113 0.87 HRH4 (0.56) HRH4DRD4DRD2MEN1LMNA
SCHEMBL311114 0.87 HRH4 (0.56) HRH4DRD4DRD2MEN1LMNA
SCHEMBL300296 0.86 HRH4 (0.57) HRH4DRD4DRD2MEN1LMNA
SCHEMBL311617 0.86 HRH4 (0.55) HRH4DRD4DRD2MEN1LMNA
SCHEMBL311618 0.86 HRH4 (0.55) HRH4DRD4DRD2MEN1LMNA
SCHEMBL300295 0.86 HRH4 (0.57) HRH4DRD4DRD2MEN1LMNA
SCHEMBL301386 0.84 HRH4 (0.55) HRH4DRD4DRD2MEN1LMNA
SCHEMBL301300 0.84 HRH4 (0.55) HRH4DRD4DRD2MEN1LMNA
SCHEMBL301301 0.84 HRH4 (0.55) HRH4DRD4DRD2MEN1LMNA

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