SCHEMBL16214440

SCHEMBL16214440

CCCOc1ccc(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
SCHEMBL16214239 0.93 ACACB (1.00) ACACB
SCHEMBL16214313 0.90 ACACB (1.00) ACACB
SCHEMBL15918594 0.87 ACACB (1.00) ACACB
SCHEMBL16214388 0.87 ACACB (1.00) ACACB
SCHEMBL17207128 0.84 ACACB (1.00) ACACB
SCHEMBL16519117 0.84 ACACB (1.00) ACACB
SCHEMBL15918784 0.84 ACACB (1.00) ACACB
SCHEMBL16214223 0.84 ACACB (1.00) ACACB
SCHEMBL16214439 0.84 ACACB (1.00) ACACB
SCHEMBL15918586 0.83 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