SCHEMBL16403379

SCHEMBL16403379

COc1cc(N2CCCC2(C)C(=O)N2CC(F)(F)C2)cc2nc(NCc3cc(Cl)ccn3)oc12

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
THRB P10828 20/20 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
SCHEMBL17686408 0.88 THRB (0.60) THRB
SCHEMBL16403723 0.80 THRB (0.61) THRB
SCHEMBL16400694 0.80 THRB (0.64) THRB
SCHEMBL17686387 0.78 THRB (0.65) THRB
SCHEMBL16400176 0.78 THRB (0.65) THRB
SCHEMBL16400909 0.78 THRB (0.65) THRB
SCHEMBL17686377 0.78 THRB (0.65) THRB
SCHEMBL17686409 0.73 THRB (0.66) THRB
SCHEMBL16403314 0.73 THRB (0.66) THRB
SCHEMBL16403316 0.72 THRB (0.59) THRB

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-3004086-A1 SUBSTITUTED BENZOXAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-04-13 EP disclosed
WO-2014195230-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-11 WO disclosed