SCHEMBL12450286

SCHEMBL12450286

C#CCN(C(=O)OC(C)(C)C)C1CCc2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.41
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
BCHE P06276 1/20 0.36
SRD5A1 P18405 1/20 0.34

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
SCHEMBL3378411 0.84 MAOA (0.56) ACHEMAOAMAOBBCHE
SCHEMBL3378409 0.84 MAOA (0.56) ACHEMAOAMAOBBCHE
SCHEMBL3299930 0.82 ACHE (0.49) ACHEMAOAMAOBBCHE
SCHEMBL3300396 0.82 ACHE (0.49) ACHEMAOAMAOBBCHE
SCHEMBL26291402 0.81 NFKB1 (0.34) SRD5A1
SCHEMBL5899449 0.81 ACHE (0.48) ACHEMAOAMAOBBCHE
SCHEMBL31730506 0.81 SRD5A1 (0.38) ACHESRD5A1
SCHEMBL26291385 0.81 DGAT1 (0.38) SRD5A1
SCHEMBL23725338 0.79 SRD5A1 (0.33) SRD5A1
SCHEMBL22517149 0.79 CETP (0.44)

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-2011097946-A1 OXAZOLIDINONE COMPOUNDS CONTAINING RING-FUSED BICYCLIC RING, PREPARATION METHOD AND USE THEREOF 山东轩竹医药科技有限公司 (CN) 2011-08-18 WO disclosed