SCHEMBL5484748

SCHEMBL5484748

C[C@@H]1C[C@H](C)CN(CCCOCCCc2ccccc2)C1.C[C@H]1C[C@H](C)CN(CCCOCCCc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.61
SIGMAR1 Q99720 2/20 0.54
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
OPRM1 P35372 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL491723 1.00 HRH3 (0.61) HRH3SIGMAR1ALDH1A1POLBTHRB
SCHEMBL491587 1.00 HRH3 (0.61) HRH3SIGMAR1ALDH1A1POLBTHRB
SCHEMBL491586 1.00 HRH3 (0.61) HRH3SIGMAR1ALDH1A1POLBTHRB
SCHEMBL12741679 1.00 HRH3 (0.61) HRH3SIGMAR1ALDH1A1POLBTHRB
SCHEMBL6052607 0.94 SIGMAR1 (0.65) HRH3SIGMAR1ALDH1A1
SCHEMBL491585 0.86 HRH3 (0.63) HRH3SIGMAR1SMN1; SMN2
SCHEMBL491873 0.86 HRH3 (0.63) HRH3SIGMAR1SMN1; SMN2
SCHEMBL491900 0.86 HRH3 (0.63) HRH3SIGMAR1SMN1; SMN2
SCHEMBL491602 0.85 HRH3 (0.68) HRH3ALDH1A1
SCHEMBL6052840 0.84 HRH3 (0.64) HRH3SIGMAR1

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-1863487-A2 TREATMENT OF PARKINSON'S DISEASE, OBSTRUCTIVE SLEEP APNEA, DEMENTIA WITH LEWY BODIES, VASCULAR DEMENTIA WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-12 EP claimed
WO-2006103546-A2 TREATMENT OF PARKINSON'S DISEASE, OBSTRUCTIVE SLEEP APNEA, DEMENTIA WITH LEWY BODIES, VASCULAR DEMENTIA WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 WO claimed