SCHEMBL4701384

SCHEMBL4701384

O=C1c2ccc(C(F)(F)F)cc2OCC2CCCCN12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.50
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
GAA P10253 4/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
GRIA1 P42261 1/20 0.37
ALPL P05186 2/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL4481975 0.96 AR (0.49) ARHTR2AHTR2CHTR2BKMT2A
SCHEMBL4704066 0.96 AR (0.49) ARHTR2AHTR2CHTR2BKMT2A
SCHEMBL4484222 0.88 KMT2A (0.46) ARHTR2AHTR2CHTR2BKMT2A
SCHEMBL4472275 0.83 AR (0.45) ARKMT2AMEN1MAPTKDM4E
SCHEMBL14480619 0.81 AR (0.43) ARHTR2AHTR2CHTR2BKMT2A
SCHEMBL14481095 0.81 AR (0.43) ARHTR2AHTR2CHTR2BKMT2A
SCHEMBL21780397 0.81 AR (0.43) ARHTR2AHTR2CHTR2BKMT2A
SCHEMBL4477728 0.79 AR (0.44) ARPRMT5WDR77GRIA1ALPL
SCHEMBL4489426 0.76 ALPL (0.47) ARHTR2AHTR2CHTR2BGRIA1
SCHEMBL4483125 0.76 ALPL (0.47) ARHTR2AHTR2CHTR2BGRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399450-B1 BENZOXAZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS ORGANON NV (NL) 2008-03-19 EP disclosed