SCHEMBL13624460

SCHEMBL13624460

Cc1cc(Br)cc2c1-c1ccc3c(c1C2(C)C)C(C)(C)c1cc(Br)cc(C)c1-3

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
PDK2 Q15119 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
SCHEMBL1034952 0.81
SCHEMBL1760467 0.80 PGR (0.35) PDK2
SCHEMBL20946370 0.79 PDK2 (0.42) HTR2BPDK2
SCHEMBL12703421 0.75 ALDH1A1 (0.34)
SCHEMBL31363096 0.74 PDK2 (0.41) HTR2BPDK2
SCHEMBL10227282 0.72 PDK2 (0.41) HTR2BPDK2
SCHEMBL1589873 0.72 PDK2 (0.44) HTR7HTR2BPDK2
SCHEMBL1589422 0.70 HTR2B (0.35) HTR2BPDK2
SCHEMBL12703328 0.70 PDK2 (0.32) PDK2
SCHEMBL12703169 0.70 ALDH1A1 (0.31) HTR7HTR2BPDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276723-B1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-01-27 EP disclosed
WO-2009141026-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH, (DE) 2009-11-26 WO disclosed