SCHEMBL655165

SCHEMBL655165

CN(CCO)CCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.59
TSHR P16473 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
POLB P06746 1/20 0.59
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
RECQL P46063 1/20 0.55
ATM Q13315 1/20 0.54
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HRH1 P35367 1/20 0.47

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
SCHEMBL31059180 0.91 KDM4E (0.68) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL12819456 0.91 KDM4E (0.68) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL31059181 0.91 KDM4E (0.68) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL14067402 0.88 KDM4E (0.60) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL6979275 0.84 HSD17B10 (0.57) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL172602 0.84 KDM4E (0.65) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL654006 0.83 HRH1 (0.61) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL13955394 0.83 KDM4E (0.59) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL6785130 0.83 KDM4E (0.59) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL6033690 0.82 KDM4E (0.67) KDM4ETSHRTDP1NPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242148-B2 Treatment methods employing histamine H3 receptor antagonists, including betahistine OTOLANUM AG, C/O AURIS MEDICAL HOLDING AG (CH) 2012-08-14 US disclosed
US-20120115914-A1 Treatment Methods Employing Histamine H3 Receptor Antagonists, Including Betahistine OTOLANUM AG, C/O AURIS MEDICAL HOLDING AG (CH) 2012-05-10 US disclosed
US-8119668-B2 Treatment methods employing histamine H3 receptor antagonists, including betahistine OTOLANUM AG, C/O AURIS MEDICAL HOLDING AG (CH) 2012-02-21 US disclosed
US-20090298892-A1 Treatment Methods Employing Histamine H3 Receptor Antagonists, Including Betahistine OTOLANUM AG, C/O AURIS MEDICAL HOLDING AG (CH) 2009-12-03 US disclosed
WO-2007076140-A2 TREATMENT METHODS EMPLOYING HISTAMINE H3 RECEPTOR ANTAGONISTS, INCLUDING BETAHISTINE UNIVERSITY OF CINCINNATI (US) 2007-07-05 WO disclosed