SCHEMBL6934131

SCHEMBL6934131

O[C@@H](COc1cccc(-c2onc3sccc23)c1)CN1CCN(c2csc3cc(F)ccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA1G O43497 1/20 0.41
ABCB1 P08183 4/20 0.41
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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 0.86 MAPT (0.53) ADRB3MEN1KMT2AABCB1PRMT5
SCHEMBL5454036 0.85 MEN1 (0.42) ADRB3MEN1KMT2ACACNA1GABCB1
SCHEMBL6935782 0.85 ADRB3 (0.45) ADRB3MEN1KMT2ACACNA1GABCB1
SCHEMBL6934068 0.83 MAPT (0.56) MEN1KMT2AABCB1MAPTALDH1A1
SCHEMBL6938506 0.83 PRMT5 (0.46) CACNA1GABCB1PRMT5WDR77MAPT
SCHEMBL1379788 0.72 DRD2 (0.45)
SCHEMBL7128811 0.72 HTR2A (0.64)
SCHEMBL7258918 0.70 MEN1 (0.57) MEN1KMT2ACACNA1GABCB1MAPT
SCHEMBL5459103 0.70 ADRB3 (0.43) ADRB3MEN1KMT2ACACNA1GABCB1
SCHEMBL5360250 0.69 KDM4E (0.56) MEN1KMT2ACACNA1GABCB1PRMT5

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