SCHEMBL6938506

SCHEMBL6938506

O[C@@H](COc1cccc(-c2onc3sccc23)c1)CN1CCN(c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.46
WDR77 Q9BQA1 4/20 0.46
HSP90AB1 P08238 4/20 0.44
CACNA1G O43497 2/20 0.43
KCNH2 Q12809 2/20 0.43
ABCB1 P08183 7/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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 0.90 MAPT (0.53) PRMT5WDR77ABCB1MAPTALDH1A1
SCHEMBL6934068 0.86 MAPT (0.56) ABCB1MAPTALDH1A1LMNAGAA
SCHEMBL5463844 0.83 PRMT5 (0.46) PRMT5WDR77HSP90AB1CACNA1GKCNH2
SCHEMBL6934131 0.83 ADRB3 (0.44) PRMT5WDR77CACNA1GABCB1MAPT
SCHEMBL6935782 0.79 ADRB3 (0.45) PRMT5WDR77CACNA1GABCB1MAPT
SCHEMBL1379788 0.75 DRD2 (0.45)
SCHEMBL5460355 0.72 MAPT (0.53) PRMT5WDR77ABCB1MAPTALDH1A1
SCHEMBL5469975 0.71 HTR7 (0.49) PRMT5WDR77HSP90AB1ABCB1MAPT
SCHEMBL1377207 0.71 DRD3 (0.53) MAPTMAPK1
SCHEMBL13902765 0.71 ABCB1 (0.46) HSP90AB1ABCB1MAPTALDH1A1LMNA

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