SCHEMBL900799

SCHEMBL900799

CN1CCC(OC(c2nc3ccccc3[nH]2)c2cc(Br)ccc2F)CC1.Cc1ccc(C(OC2CCN(C)CC2)c2nc3ccccc3[nH]2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 2/20 0.38
DRD3 P35462 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.35
HRH4 Q9H3N8 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL12474366 0.92 OPRM1 (0.41) MLKLDRD3CHRM2HTR1AADRA2A
SCHEMBL12474351 0.91 MLKL (0.45) MLKLDRD3CHRM2HTR1AADRA2A
SCHEMBL2721601 0.84 MLKL (0.45) MLKLDRD3CHRM2HTR1AADRA2A
SCHEMBL15227513 0.84 MLKL (0.45) MLKLDRD3CHRM2HTR1AADRA2A
SCHEMBL2722198 0.83 CHRM2 (0.43) MLKLDRD3CHRM2HTR1AADRA2A
SCHEMBL2720628 0.83 CHRM2 (0.52) MLKLDRD3CHRM2HTR1AADRA2A
SCHEMBL900280 0.82 HRH3 (0.42) MLKLDRD3CHRM2HTR1AADRA2A
SCHEMBL900132 0.82 CHRM2 (0.49) MLKLDRD3CHRM2HTR1AADRA2A
SCHEMBL2721363 0.81 DRD3 (0.41) MLKLDRD3CHRM2HTR1AADRA2A
SCHEMBL12474425 0.81 HRH3 (0.41) MLKLDRD3CHRM2HTR1AADRA2A

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-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 EP disclosed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 WO disclosed