SCHEMBL3242087

SCHEMBL3242087

CC(C)(C)N1CCCN(c2nc(N)nc3c2CCC(c2ccccc2Cl)C3)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.42
HRH3 Q9Y5N1 3/20 0.42
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ADRA1A P35348 1/20 0.35
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
NTSR1 P30989 2/20 0.33
HCAR2 Q8TDS4 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
HTR7 P34969 2/20 0.31
HTR6 P50406 2/20 0.31

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
SCHEMBL604871 0.85 HRH4 (0.47) HRH4HRH3ADRA1AHRH2HRH1
SCHEMBL3236807 0.84 HRH4 (0.45) HRH4HRH3CNR1CNR2ADRA1A
SCHEMBL3762778 0.84 PDE10A (0.43) HRH4HRH3CNR1CNR2
SCHEMBL604935 0.82 HRH4 (0.46) HRH4HRH3ADRA1AHRH1HCAR2
SCHEMBL603730 0.79 HRH4 (0.48) HRH4HRH3ADRA1A
SCHEMBL3237075 0.74 ADRA1A (0.47) HRH4HRH3ADRA1AHCAR2HPGD
SCHEMBL3260720 0.73 HRH4 (0.54) HRH4HRH3HCAR2
SCHEMBL3758724 0.73 HRH4 (0.42) HRH4HRH3ADRA1AHCAR2
SCHEMBL3758725 0.73 HRH4 (0.42) HRH4HRH3ADRA1AHCAR2
SCHEMBL3230195 0.72 ADRA1A (0.45) ADRA1AHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209775-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB Pharma, S.A. (BE) 2010-07-28 EP claimed
WO-2009047255-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2009-04-16 WO claimed
EP-2209775-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB Pharma, S.A. (BE) 2010-07-28 EP disclosed
WO-2009047255-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2009-04-16 WO disclosed