SCHEMBL6052607

SCHEMBL6052607

CC1CCN(CCCOCCCc2ccccc2)CC1.C[C@@H]1C[C@H](C)CN(CCCOCCCc2ccccc2)C1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.65
HRH3 Q9Y5N1 8/20 0.63
ACHE P22303 1/20 0.59
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
USP2 O75604 1/20 0.52

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 0.94 HRH3 (0.61) SIGMAR1HRH3ALDH1A1
SCHEMBL5484748 0.94 HRH3 (0.61) SIGMAR1HRH3ALDH1A1
SCHEMBL491587 0.94 HRH3 (0.61) SIGMAR1HRH3ALDH1A1
SCHEMBL491586 0.94 HRH3 (0.61) SIGMAR1HRH3ALDH1A1
SCHEMBL12741679 0.94 HRH3 (0.61) SIGMAR1HRH3ALDH1A1
SCHEMBL491564 0.92 SIGMAR1 (0.76) SIGMAR1HRH3ACHEALDH1A1KDM4E
SCHEMBL6052840 0.90 HRH3 (0.64) SIGMAR1HRH3ACHE
Pitolisant SCHEMBL6052604 0.86 HRH3 (0.61) SIGMAR1HRH3
SCHEMBL17285907 0.83 SIGMAR1 (0.74) SIGMAR1HRH3ACHEALDH1A1KDM4E
SCHEMBL6570233 0.82 SIGMAR1 (0.62) SIGMAR1HRH3ACHEALDH1A1KDM4E

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-1641461-A1 COMBINATION PRODUCT COMPRISING AN ANTAGONIST OR INVERSE AGONIST OF HISTAMINE RECEPTOR H<SB>3</SB>AND AN ANTIPSYCHOTIC OR ANTIDEPRESSANT AGENT, AND USE THEREOF FOR THE PREPARATION OF A MEDICAMENT THAT PREVENTS THE ADVERSE EFFECTS OF PSYCHOTROPIC DRUGS BIOPROJET (FR) 2006-04-05 EP disclosed
WO-2005000315-A1 COMBINATION PRODUCT COMPRISING AN ANTAGONIST OR INVERSE AGONIST OF HISTAMINE RECEPTOR H3 AND AN ANTIPSYCHOTIC OR ANTIDEPRESSANT AGENT, AND USE THEREOF FOR THE PREPARATION OF A MEDICAMENT THAT PREVENTS THE ADVERSE EFFECTS OF PSYCHOTROPIC DRUGS BIOPROJET (FR) 2005-01-06 WO disclosed