SCHEMBL4182572

SCHEMBL4182572

CCN1CCCN(C(c2ccc(F)cc2)c2nnnn2Cc2cccc(F)c2)CC1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.84
ALDH1A1 P00352 4/20 0.67
MAPT P10636 1/20 0.67
GAA P10253 1/20 0.64
NPSR1 Q6W5P4 2/20 0.57
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55

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 0.92 HRH3 (1.00) HRH3ALDH1A1MAPTGAANPSR1
SCHEMBL4188505 0.89 HRH3 (0.84) HRH3ALDH1A1NPSR1LMNATSHR
SCHEMBL4186008 0.87 HRH3 (0.84) HRH3ALDH1A1MAPTGAANPSR1
SCHEMBL4182903 0.84 HRH3 (0.80) HRH3ALDH1A1MAPTGAANPSR1
SCHEMBL4188339 0.84 HRH3 (0.85) HRH3ALDH1A1NPSR1TSHRSMN1; SMN2
SCHEMBL4176012 0.84 HRH3 (0.85) HRH3ALDH1A1NPSR1TSHR
SCHEMBL4019371 0.80 ALDH1A1 (0.84) HRH3ALDH1A1MAPTNPSR1LMNA
SCHEMBL4024863 0.80 HRH3 (1.00) HRH3ALDH1A1NPSR1LMNATSHR
SCHEMBL4475308 0.75 HRH3 (0.84) HRH3
SCHEMBL4184767 0.75 HRH3 (1.00) HRH3ALDH1A1NPSR1TSHR

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