SCHEMBL8105923

SCHEMBL8105923

COc1ccc(CNC(N)=NCCCN2CCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.57
HRH3 Q9Y5N1 3/20 0.50
CYP2D6 P10635 1/20 0.48
ACHE P22303 1/20 0.47
HRH1 P35367 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
LTA4H P09960 1/20 0.45

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
Hydrochloric Acid SCHEMBL6340007 0.99 SIGMAR1 (0.56) SIGMAR1HRH3CYP2D6ACHEHRH1
SCHEMBL6338919 0.85 SIGMAR1 (0.54) SIGMAR1HRH3HRH1
Hydrochloric Acid SCHEMBL6338916 0.84 SIGMAR1 (0.53) SIGMAR1HRH3HRH1POLB
Hydrochloric Acid SCHEMBL6347775 0.83 SIGMAR1 (0.59) SIGMAR1HRH3
Hydrochloric Acid SCHEMBL6341471 0.83 SIGMAR1 (0.76) SIGMAR1HRH3
Hydrochloric Acid SCHEMBL6340108 0.83 SIGMAR1 (0.59) SIGMAR1HRH3ACHE
Hydrochloric Acid SCHEMBL6339528 0.83 SIGMAR1 (0.58) SIGMAR1HRH3
SCHEMBL4130604 0.83 SIGMAR1 (0.58) SIGMAR1HRH3
Hydrochloric Acid SCHEMBL6338969 0.82 SIGMAR1 (0.50) SIGMAR1MAPT
SCHEMBL8108039 0.81 SIGMAR1 (0.57) SIGMAR1HRH3

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-1056733-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-12-06 EP disclosed
WO-1999042458-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1999-08-26 WO disclosed