SCHEMBL4182903

SCHEMBL4182903

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

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.80
ALDH1A1 P00352 7/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
MAPT P10636 3/20 0.74
TDP1 Q9NUW8 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
NPSR1 Q6W5P4 6/20 0.72
TSHR P16473 4/20 0.72
LMNA P02545 1/20 0.68
GAA P10253 3/20 0.61
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HTT P42858 2/20 0.59
KDM4E B2RXH2 3/20 0.58
CASP1 P29466 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
SCHEMBL4019371 0.91 ALDH1A1 (0.84) HRH3ALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL4186008 0.90 HRH3 (0.84) HRH3ALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL4194198 0.89 HRH3 (1.00) HRH3ALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL4182572 0.84 HRH3 (0.84) HRH3ALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL4020529 0.79 HRH3 (0.79) HRH3ALDH1A1SMN1; SMN2NPSR1TSHR
SCHEMBL4024863 0.77 HRH3 (1.00) HRH3ALDH1A1NPSR1TSHRLMNA
SCHEMBL4185921 0.75 HRH3 (0.86) HRH3ALDH1A1NPSR1TSHR
SCHEMBL29761952 0.73 NPSR1 (0.90) HRH3ALDH1A1NPSR1TSHRLMNA
SCHEMBL4188505 0.73 HRH3 (0.84) HRH3ALDH1A1NPSR1TSHRLMNA
SCHEMBL18326831 0.72 TSHR (0.64) HRH3ALDH1A1SMN1; SMN2MAPTTDP1

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
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