SCHEMBL6934068

SCHEMBL6934068

O[C@@H](COc1cccc(-c2onc3sccc23)c1)CN1CCN(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
HTR7 P34969 3/20 0.50
KMT2A Q03164 4/20 0.49
MAPK1 P28482 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ABCB1 P08183 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL6938695 0.88 MAPT (0.53) MAPTHTR7KMT2AMAPK1MEN1
SCHEMBL6938506 0.86 PRMT5 (0.46) MAPTMAPK1ALDH1A1ABCB1LMNA
SCHEMBL1377207 0.84 DRD3 (0.53) MAPTHTR7KMT2AMAPK1MEN1
SCHEMBL6934131 0.83 ADRB3 (0.44) MAPTKMT2AMAPK1MEN1ALDH1A1
SCHEMBL6935782 0.82 ADRB3 (0.45) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL5459027 0.81 MAPT (0.56) MAPTHTR7KMT2AMAPK1MEN1
SCHEMBL13898865 0.76 MAPT (0.59) MAPTHTR7KMT2AMAPK1MEN1
SCHEMBL11163940 0.75 MAPT (0.62) MAPTHTR7KMT2AMAPK1MEN1
SCHEMBL8613867 0.74 MAPT (0.82) MAPTHTR7KMT2AMAPK1MEN1
SCHEMBL7258918 0.74 MEN1 (0.57) MAPTKMT2AMEN1ALDH1A1HPGD

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-2003509432-A 2003-03-11 JP claimed
EP-1216250-A1 THIENOISOXAZOLYL AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2002-06-26 EP claimed
WO-2001019833-A1 THIENOISOXAZOLYL- AND THIENYLPYRRAZOLYL-PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed