SCHEMBL6183887

SCHEMBL6183887

O=C(NC1CCC1)O[C@@H]1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.57
ACACA Q13085 14/20 0.57
BCHE P06276 1/20 0.44
EPHX1 P07099 1/20 0.42
MBTD1 Q05BQ5 1/20 0.42
TP53BP1 Q12888 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM1 P11229 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
SCHEMBL6185219 0.84 ACACB (0.56) ACACBACACABCHEMBTD1TP53BP1
SCHEMBL977837 0.84 ACACB (0.66) ACACBACACA
SCHEMBL6186970 0.82 ACACB (0.54) ACACBACACABCHE
SCHEMBL6183078 0.81 ACACB (0.67) ACACBACACAMBTD1TP53BP1L3MBTL3
SCHEMBL6184795 0.81 ACACB (0.61) ACACBACACABCHEMBTD1TP53BP1
SCHEMBL6182987 0.80 ACACB (0.73) ACACBACACABCHE
SCHEMBL6185259 0.79 ACACB (0.56) ACACBACACABCHE
SCHEMBL13193355 0.78 ACACB (0.67) ACACBACACAMBTD1TP53BP1L3MBTL3
SCHEMBL3465253 0.78 ACACB (0.74) ACACBACACAMBTD1TP53BP1L3MBTL3
SCHEMBL6183390 0.78 ACACB (0.74) ACACBACACAMBTD1TP53BP1L3MBTL3

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