SCHEMBL3704728

SCHEMBL3704728

O=C(O)c1ccccc1-c1ccc2c(c1)CCNC2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 5/20 0.55
ASIC3 Q9UHC3 5/20 0.48
PRCP P42785 1/20 0.46
SYK P43405 1/20 0.45
PNMT P11086 2/20 0.45
CD44 P16070 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
USP28 Q96RU2 1/20 0.42

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
SCHEMBL3703063 0.88 CD274 (0.54) CD274ASIC3SYKPNMTCD44
SCHEMBL20538841 0.84 CD274 (0.48) CD274ASIC3PRCPSYKUSP28
SCHEMBL6384718 0.82 PARP1 (0.50) CD274SYKPNMTCD44MAOB
SCHEMBL4553211 0.80 CD274 (0.60) CD274ASIC3PRCPSYKPNMT
SCHEMBL14863482 0.79 SYK (0.49) CD274ASIC3SYK
SCHEMBL23785442 0.79 PARP10 (0.44) MEN1KMT2AATM
SCHEMBL20538826 0.79 CD274 (0.45) CD274PRCPSYKPNMT
Hydrochloric Acid SCHEMBL861787 0.78 FABP4 (0.44) CD274
SCHEMBL2804700 0.77 MEN1 (0.58) MEN1KMT2AATMUSP28
SCHEMBL6347388 0.77 ASIC3 (0.65) CD274ASIC3PRCPPNMTCD44

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-2200989-A1 ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2010-06-30 EP disclosed
EP-2200998-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2010-06-30 EP disclosed
WO-2009036117-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-19 WO disclosed
WO-2009036144-A1 ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-19 WO disclosed