SCHEMBL4391963

SCHEMBL4391963

CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCCC2(CC1)CC(=O)c1ccccc1O2

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.56
ACACA Q13085 19/20 0.56

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
SCHEMBL4391959 1.00 ACACB (0.56) ACACBACACA
SCHEMBL3493239 0.97 ACACB (0.55) ACACBACACA
SCHEMBL3493243 0.97 ACACB (0.55) ACACBACACA
SCHEMBL3492258 0.92 ACACB (0.54) ACACBACACA
SCHEMBL3492253 0.92 ACACB (0.54) ACACBACACA
SCHEMBL3491662 0.88 ACACB (0.52) ACACBACACA
SCHEMBL3493230 0.88 ACACB (0.52) ACACBACACA
SCHEMBL3491666 0.88 ACACB (0.52) ACACBACACA
SCHEMBL3493228 0.88 ACACB (0.52) ACACBACACA
SCHEMBL3492140 0.88 ACACB (0.52) 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-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed