SCHEMBL1383563

SCHEMBL1383563

OC(COc1ccc(-c2onc3cc(F)ccc23)cc1)CN1CCN(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
ABCB1 P08183 5/20 0.55
CACNA1G O43497 2/20 0.55
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MEN1 O00255 1/20 0.52
HTR7 P34969 3/20 0.52
ALOX15 P16050 1/20 0.51

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
SCHEMBL1383560 1.00 MAPT (0.55) MAPTABCB1CACNA1GKMT2AMAPK1
SCHEMBL7493514 0.89 MAPT (0.54) MAPTKMT2AMAPK1ALDH1A1LMNA
SCHEMBL7492035 0.89 MAPT (0.54) MAPTKMT2AMAPK1ALDH1A1LMNA
SCHEMBL7492021 0.89 MAPT (0.54) MAPTKMT2AMAPK1ALDH1A1LMNA
SCHEMBL7564923 0.87 HTR1A (0.52) MAPTABCB1CACNA1GMAPK1ALDH1A1
SCHEMBL7564915 0.87 HTR1A (0.52) MAPTABCB1CACNA1GMAPK1ALDH1A1
SCHEMBL7489075 0.86 ABCB1 (0.48) ABCB1L3MBTL1ALDH1A1
SCHEMBL1380843 0.86 ABCB1 (0.48) ABCB1L3MBTL1ALDH1A1
SCHEMBL7497905 0.86 HTR2A (0.51)
SCHEMBL7500542 0.86 HTR2A (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4806149-B2 2011-11-02 JP claimed
EP-1216244-A1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists Aventis Pharmaceuticals Inc. (US) 2002-06-26 EP claimed
WO-2001019821-A1 BENZISOXAZOLYL-, PYRIDOISOXAZOLYL- AND BENZTHIENYL-PHENOXY DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2001-03-22 WO claimed