SCHEMBL16214239

SCHEMBL16214239

CCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(OC)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 1.00

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
SCHEMBL16214440 0.93 ACACB (1.00) ACACB
SCHEMBL16214414 0.83 ACACB (1.00) ACACB
SCHEMBL15918546 0.83 ACACB (1.00) ACACB
SCHEMBL16214313 0.83 ACACB (1.00) ACACB
SCHEMBL16214222 0.83 ACACB (1.00) ACACB
SCHEMBL16214427 0.82 ACACB (1.00) ACACB
SCHEMBL15048336 0.82 ACACB (0.74) ACACB
SCHEMBL16481276 0.81 ACACB (1.00) ACACB
SCHEMBL17207107 0.81 ACACB (1.00) ACACB
SCHEMBL16214418 0.81 ACACB (1.00) ACACB

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
US-8877741-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed