SCHEMBL4186008

SCHEMBL4186008

CCN1CCCN(C(c2ccc(F)cc2)c2nnnn2Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.84
NPSR1 Q6W5P4 3/20 0.68
ALDH1A1 P00352 6/20 0.66
MAPT P10636 2/20 0.66
GAA P10253 1/20 0.64
HTT P42858 1/20 0.62
SLC1A3 P43003 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 2/20 0.57
LMNA P02545 1/20 0.56

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
SCHEMBL4194198 0.91 HRH3 (1.00) HRH3NPSR1ALDH1A1MAPTGAA
SCHEMBL4182903 0.90 HRH3 (0.80) HRH3NPSR1ALDH1A1MAPTGAA
SCHEMBL4182572 0.87 HRH3 (0.84) HRH3NPSR1ALDH1A1MAPTGAA
SCHEMBL4019371 0.80 ALDH1A1 (0.84) HRH3NPSR1ALDH1A1MAPTHTT
SCHEMBL4024863 0.79 HRH3 (1.00) HRH3NPSR1ALDH1A1SLC1A3TSHR
SCHEMBL29761985 0.75 SLC1A3 (1.00) HRH3NPSR1ALDH1A1HTTSLC1A3
SCHEMBL4188505 0.75 HRH3 (0.84) HRH3NPSR1ALDH1A1SLC1A3TSHR
SCHEMBL4018816 0.74 HRH3 (1.00) HRH3
SCHEMBL4184767 0.74 HRH3 (1.00) HRH3NPSR1ALDH1A1TSHR
SCHEMBL4020046 0.73 HRH3 (1.00) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009095394-A1 DIAZEPANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-08-06 WO claimed
WO-2009095394-A1 DIAZEPANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-08-06 WO disclosed
WO-2009095394-A1 DIAZEPANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-08-06 WO disclosed