SCHEMBL6185219

SCHEMBL6185219

O=C(NCC(F)(F)F)O[C@@H]1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.56
ACACA Q13085 16/20 0.56
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
BCHE P06276 1/20 0.42
MBTD1 Q05BQ5 1/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
KDM2B Q8NHM5 1/20 0.39

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
SCHEMBL6186970 0.87 ACACB (0.54) ACACBACACABCHEKDM2B
SCHEMBL977119 0.86 ACACB (0.64) ACACBACACAL3MBTL1KDM4EMEN1
SCHEMBL6183887 0.84 ACACB (0.57) ACACBACACAL3MBTL1BCHEMBTD1
SCHEMBL6182987 0.80 ACACB (0.73) ACACBACACABCHE
SCHEMBL6184795 0.79 ACACB (0.61) ACACBACACAL3MBTL1BCHEMBTD1
SCHEMBL6182739 0.76 ACACB (0.72) ACACBACACAKDM4EKDM2B
SCHEMBL3465253 0.75 ACACB (0.74) ACACBACACAL3MBTL1MBTD1TP53BP1
SCHEMBL13193355 0.75 ACACB (0.67) ACACBACACAL3MBTL1MBTD1TP53BP1
SCHEMBL6183390 0.75 ACACB (0.74) ACACBACACAL3MBTL1MBTD1TP53BP1
SCHEMBL6185259 0.75 ACACB (0.56) ACACBACACABCHEKDM2B

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-1478437-B1 ACC INHIBITORS PFIZER PROD INC (US) 2005-08-31 EP claimed