SCHEMBL6184795

SCHEMBL6184795

CC(C)N(C(=O)O[C@@H]1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.61
ACACA Q13085 14/20 0.61
BCHE P06276 1/20 0.45
KDM2B Q8NHM5 2/20 0.43
L3MBTL3 Q96JM7 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MBTD1 Q05BQ5 1/20 0.42
TP53BP1 Q12888 1/20 0.42

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
SCHEMBL6185259 0.89 ACACB (0.56) ACACBACACABCHEKDM2B
SCHEMBL6182987 0.88 ACACB (0.73) ACACBACACABCHE
SCHEMBL978121 0.84 ACACB (0.77) ACACBACACAKDM2B
SCHEMBL2622329 0.84 ACACB (0.77) ACACBACACAKDM2B
SCHEMBL6183887 0.81 ACACB (0.57) ACACBACACABCHEL3MBTL3L3MBTL1
SCHEMBL6184619 0.80 ACACB (0.70) ACACBACACAKDM2BL3MBTL3L3MBTL1
SCHEMBL6183884 0.80 ACACB (0.70) ACACBACACAKDM2B
SCHEMBL6183602 0.80 ACACB (0.67) ACACBACACAKDM2BL3MBTL1
SCHEMBL3465253 0.80 ACACB (0.74) ACACBACACAKDM2BL3MBTL3L3MBTL1
SCHEMBL6183390 0.80 ACACB (0.74) ACACBACACAKDM2BL3MBTL3L3MBTL1

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