SCHEMBL6186970

SCHEMBL6186970

O=C(NCCC1CCCCC1)O[C@@H]1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.54
ACACA Q13085 16/20 0.54
BCHE P06276 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
SCHEMBL6185219 0.87 ACACB (0.56) ACACBACACABCHEKDM2B
SCHEMBL976639 0.86 ACACB (0.61) ACACBACACAKDM2B
SCHEMBL6183887 0.82 ACACB (0.57) ACACBACACABCHE
SCHEMBL6182987 0.78 ACACB (0.73) ACACBACACABCHE
SCHEMBL6184795 0.77 ACACB (0.61) ACACBACACABCHEKDM2B
SCHEMBL6185259 0.76 ACACB (0.56) ACACBACACABCHEKDM2B
SCHEMBL6183709 0.75 ACACB (0.84) ACACBACACA
SCHEMBL6182739 0.74 ACACB (0.72) ACACBACACAKDM2B
SCHEMBL13193355 0.73 ACACB (0.67) ACACBACACA
SCHEMBL3465253 0.73 ACACB (0.74) ACACBACACAKDM2B

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