SCHEMBL16723230

SCHEMBL16723230

CC(=O)N1C2CCCCC2N(C(=O)C2CCCCC2OC2CCCCC2)C[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ GAA P10253 1/20 0.35
▸ RECQL P46063 1/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL16723246 0.77 TSHR (0.64) TSHRGAARECQLMAPT
SCHEMBL16723248 0.69 HSD11B1 (0.43) TSHRGAA
SCHEMBL16723162 0.69 IDH1 (0.37) TSHRGAA
SCHEMBL16723222 0.67 TSHR (0.36) TSHRGAA
SCHEMBL16723104 0.66 GAA (0.35) TSHRGAAMAPT
SCHEMBL16723238 0.66 SMN1; SMN2 (0.41) TSHRGAA
SCHEMBL16723156 0.65 HCRTR2 (0.34) GAA
SCHEMBL16723195 0.62 GAA (0.32) TSHRGAA
SCHEMBL23712675 0.57 EPHX1 (0.31) —
SCHEMBL1754805 0.57 CA1 (0.35) —

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-2015074081-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BAIR KENNETH W (US) 2015-05-21 — — WO disclosed
Send feedback