SCHEMBL28323722

SCHEMBL28323722

Brc1cc(Br)cc(C[CH]Cc2cc(Br)cc(Br)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
TAAR1 Q96RJ0 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
SCHEMBL2336642 0.80 IDO1 (0.41) IDO1
SCHEMBL5941222 0.79 HSP90AA1 (0.32) IDO1
SCHEMBL862044 0.78 XDH (0.41) IDO1
SCHEMBL7384351 0.77 CYP1A2 (0.43)
SCHEMBL7417345 0.76 MEN1 (0.38) IDO1
SCHEMBL9777994 0.72 XDH (0.41) IDO1
SCHEMBL1542275 0.71 IDO1 (0.48) IDO1TAAR1
SCHEMBL400236 0.69 IDO1 (0.46) IDO1TAAR1
SCHEMBL1765119 0.69 IDO1 (0.52) IDO1TAAR1
SCHEMBL7637376 0.69 IDO1 (0.37) IDO1

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
CN-110337435-A Barbituric acid derivatives comprising cation group and lipophilic group 特罗姆瑟大学-挪威北极圈大学 2019-10-15 CN disclosed