SCHEMBL2554982

SCHEMBL2554982

OB(O)c1ccc(CCN2CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
MBTD1 Q05BQ5 2/20 0.61
L3MBTL3 Q96JM7 2/20 0.61
SLC6A3 Q01959 2/20 0.58
SIGMAR1 Q99720 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
LPL P06858 1/20 0.50
LIPG Q9Y5X9 1/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TP53BP1 Q12888 1/20 0.46

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
SCHEMBL2549507 0.98 HRH3 (0.65) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
SCHEMBL421728 0.84 SIGMAR1 (0.55) HRH3L3MBTL1MBTD1L3MBTL3SIGMAR1
SCHEMBL2557827 0.81 HRH3 (0.65) HRH3L3MBTL1MBTD1L3MBTL3
SCHEMBL29952315 0.79 HRH3 (0.69) HRH3L3MBTL1MBTD1L3MBTL3
SCHEMBL1427526 0.79 HRH3 (0.69) HRH3L3MBTL1MBTD1L3MBTL3
SCHEMBL28626129 0.79 HRH3 (0.68) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
SCHEMBL13649141 0.79 HRH3 (0.68) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
SCHEMBL27265652 0.78 DPP7 (0.64) SIGMAR1CYP3A4
Bromide SCHEMBL1427562 0.78 HRH3 (0.67) HRH3L3MBTL1MBTD1L3MBTL3
Hydrochloric Acid SCHEMBL1876532 0.78 HRH3 (0.67) HRH3L3MBTL1MBTD1L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed
EP-1948605-A2 MODULATORS OF THE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2008-07-30 EP disclosed
WO-2007061741-A2 MODULATORS OF THE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed