SCHEMBL5167423

SCHEMBL5167423

CC(Br)CCC(Br)COc1cc[c]cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
PTGS1 P23219 1/20 0.35
LMNA P02545 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
SCHEMBL3038199 0.77 TDP1 (0.41)
SCHEMBL159889 0.75 MAPT (0.43) MAOAPTGS1LMNA
SCHEMBL27946829 0.73 DPP4 (0.32)
SCHEMBL4714323 0.73
SCHEMBL27531239 0.73 MAPT (0.39) MAOAPTGS1LMNA
SCHEMBL27982479 0.72 PTGS1 (0.40) MAOAPTGS1LMNA
SCHEMBL11555241 0.72 PTGS1 (0.40) MAOAPTGS1LMNA
SCHEMBL17133871 0.72 PTGS1 (0.40) MAOAPTGS1LMNA
SCHEMBL27917023 0.72 LMNA (0.64) MAOAPTGS1LMNA
SCHEMBL6622827 0.72 LMNA (0.64) MAOAPTGS1LMNA

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-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed