SCHEMBL6182987

SCHEMBL6182987

CCN(CC)C(=O)OC1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.73
ACACA Q13085 17/20 0.73
BCHE P06276 2/20 0.51

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
SCHEMBL6184795 0.88 ACACB (0.61) ACACBACACABCHE
SCHEMBL3465044 0.85 ACACB (1.00) ACACBACACA
SCHEMBL977942 0.85 ACACB (1.00) ACACBACACA
SCHEMBL3462988 0.85 ACACB (1.00) ACACBACACA
SCHEMBL6185259 0.83 ACACB (0.56) ACACBACACABCHE
SCHEMBL6181355 0.82 ACACB (0.94) ACACBACACA
SCHEMBL6185409 0.81 ACACB (0.89) ACACBACACA
SCHEMBL6183887 0.80 ACACB (0.57) ACACBACACABCHE
SCHEMBL6498280 0.80 ACACB (0.91) ACACBACACA
SCHEMBL6182631 0.80 ACACB (0.84) ACACBACACA

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