SCHEMBL8229481

SCHEMBL8229481

B=C(c1ccc2oc(NCc3cccc(Cl)c3)nc2c1)N(CC(C)C)CC1CCCO1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 18/20 0.55
OXTR P30559 1/20 0.39
MAOB P27338 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL8228560 0.82 THRB (0.70) THRBOXTR
SCHEMBL8220883 0.81 THRB (0.75) THRBOXTR
SCHEMBL8225971 0.81 THRB (0.59) THRBOXTR
SCHEMBL8226026 0.79 THRB (0.58) THRBOXTR
SCHEMBL8228481 0.77 THRB (0.58) THRB
SCHEMBL8229338 0.74 THRB (0.62) THRB
SCHEMBL8229632 0.74 THRB (0.55) THRB
SCHEMBL8227347 0.73 THRB (0.58) THRB
SCHEMBL8228464 0.73 THRB (0.71) THRBOXTR
SCHEMBL8219823 0.72 THRB (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007140982-A1 SUBSTITUTED BENZOXAZOLES BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed