SCHEMBL16481480

SCHEMBL16481480

C[C@H](NC(=O)C1CC1)c1ccc(O[C@@H]2CCNC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 15/20 0.61
▸ HPGD P15428 1/20 0.53
▸ LMNA P02545 1/20 0.53

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
SCHEMBL16213723 1.00 ACACB (0.61) ACACBHPGDLMNA
SCHEMBL15048270 0.91 ACACB (0.65) ACACBHPGDLMNA
SCHEMBL15634929 0.88 ACACB (0.51) ACACB
SCHEMBL15918685 0.88 ACACB (0.64) ACACB
SCHEMBL15634930 0.88 ACACB (0.51) ACACB
SCHEMBL16187534 0.88 ACACB (0.64) ACACB
SCHEMBL19725002 0.88 ACACB (0.64) ACACB
SCHEMBL17207117 0.88 ACACB (0.64) ACACB
SCHEMBL15918526 0.88 ACACB (0.64) ACACB
Hydrochloric Acid SCHEMBL15633955 0.86 ACACB (0.62) 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
WO-2014056771-A1 NEW PYRROLIDINE DERIVATIVES AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-17 — — WO disclosed
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