SCHEMBL15918546

SCHEMBL15918546

CCOc1ccc(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1

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
SCHEMBL16214223 0.93 ACACB (1.00) ACACB
SCHEMBL15918784 0.93 ACACB (1.00) ACACB
SCHEMBL16214397 0.91 ACACB (1.00) ACACB
SCHEMBL16214358 0.90 ACACB (1.00) ACACB
SCHEMBL16481390 0.89 ACACB (1.00) ACACB
SCHEMBL17207041 0.89 ACACB (1.00) ACACB
SCHEMBL16481393 0.89 ACACB (1.00) ACACB
SCHEMBL16214369 0.89 ACACB (1.00) ACACB
SCHEMBL16214404 0.89 ACACB (1.00) ACACB
SCHEMBL16214218 0.87 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 3 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
US-8877741-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
WO-2014114578-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-31 WO disclosed