SCHEMBL4756580

SCHEMBL4756580

Cc1c(Br)c(=O)nc([C@H]2CC[C@@H](C(F)(F)F)CC2)n1-c1ccc(C#N)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP14 P54578 16/20 0.36
HSD11B1 P28845 1/20 0.36
AVPR1A P37288 1/20 0.36
USP5 P45974 1/20 0.34
USP7 Q93009 1/20 0.34
CRHR1 P34998 1/20 0.34
KDM1A O60341 1/20 0.33

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
SCHEMBL13985520 0.81 USP14 (0.38) USP14HSD11B1AVPR1AUSP5USP7
SCHEMBL13985417 0.81 HSD11B1 (0.37) USP14HSD11B1AVPR1AUSP5USP7
SCHEMBL13985228 0.80 CRHR1 (0.35) USP14HSD11B1AVPR1AUSP5USP7
SCHEMBL4756663 0.79 RORC (0.35) USP14HSD11B1AVPR1ACRHR1
SCHEMBL13985527 0.77 HSD11B1 (0.36) USP14HSD11B1AVPR1AUSP5USP7
SCHEMBL13985227 0.75 NOTUM (0.39) USP14HSD11B1USP5USP7
SCHEMBL3177168 0.75 PDE4B (0.42) USP14HSD11B1AVPR1A
SCHEMBL3177174 0.75 PDE4B (0.42) USP14HSD11B1AVPR1A
SCHEMBL3169024 0.74 CTSS (0.36) USP14HSD11B1AVPR1A
SCHEMBL3169031 0.74 CTSS (0.36) USP14HSD11B1AVPR1A

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-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO claimed