SCHEMBL4724632

SCHEMBL4724632

CC1(C)CC2(CCCN(C3CCN(C(=O)c4c(NC(=O)O)nc(-c5ccccc5)n4Cc4ccccc4)CC3)C2)C(=O)O1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 19/20 0.56
ACACA Q13085 14/20 0.56
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL3496571 0.93 ACACB (0.60) ACACBACACA
SCHEMBL13312457 0.92 ACACB (0.51) ACACBACACA
SCHEMBL3500335 0.90 ACACB (0.58) ACACBACACAHRH3
SCHEMBL3495427 0.85 ACACB (0.53) ACACBACACAHRH3
SCHEMBL3498182 0.77 ACACB (0.68) ACACBACACA
SCHEMBL3498358 0.77 ACACB (0.66) ACACBACACA
SCHEMBL3497247 0.76 ACACB (0.69) ACACBACACA
SCHEMBL4763298 0.76 ACACB (0.58) ACACBACACA
SCHEMBL3497534 0.76 ACACB (0.61) ACACBACACA
SCHEMBL3497118 0.76 ACACB (0.67) 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-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed