SCHEMBL20000516

SCHEMBL20000516

Cc1ccc(O[C@@H]2CCN(c3nc(N(C)C)ncc3F)C2)cc1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.68

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
SCHEMBL20000597 1.00 ACACB (0.68) ACACB
SCHEMBL20000623 0.84 ACACB (0.72) ACACB
SCHEMBL16236100 0.83 ACACB (0.82) ACACB
SCHEMBL16236099 0.83 ACACB (0.82) ACACB
SCHEMBL17562090 0.81 ACACB (1.00) ACACB
SCHEMBL19712318 0.81 ACACB (1.00) ACACB
SCHEMBL16255318 0.81 ACACB (1.00) ACACB
SCHEMBL16176216 0.81 ACACB (1.00) ACACB
SCHEMBL16176217 0.81 ACACB (1.00) ACACB
SCHEMBL17562108 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
EP-2997024-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-28 EP disclosed