SCHEMBL15918773

SCHEMBL15918773

CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC4CC4)cn3)C2)cc1

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
SCHEMBL16214334 1.00 ACACB (1.00) ACACB
SCHEMBL16214421 0.96 ACACB (1.00) ACACB
SCHEMBL16214393 0.96 ACACB (1.00) ACACB
SCHEMBL15918287 0.93 ACACB (1.00) ACACB
SCHEMBL16214217 0.93 ACACB (1.00) ACACB
SCHEMBL15918735 0.91 ACACB (0.84) ACACB
SCHEMBL16214344 0.91 ACACB (1.00) ACACB
SCHEMBL15918609 0.90 ACACB (1.00) ACACB
SCHEMBL16214415 0.90 ACACB (1.00) ACACB
SCHEMBL16214353 0.90 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948442-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
WO-2014114578-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-31 WO disclosed