SCHEMBL8970643

SCHEMBL8970643

CC(C)OC(C)OCc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
APP P05067 1/20 0.38
LMNA P02545 1/20 0.38
MAOB P27338 5/20 0.38
EPHX1 P07099 2/20 0.38
MAOA P21397 2/20 0.36
PYCR1 P32322 1/20 0.35
TAAR1 Q96RJ0 2/20 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
SCHEMBL4686836 0.84 IDO1 (0.52) IDO1APPLMNAMAOBMAOA
SCHEMBL8968693 0.82 IDO1 (0.47) IDO1APPLMNAMAOBEPHX1
SCHEMBL14094034 0.80 TSHR (0.44) IDO1LMNAMAOATAAR1
SCHEMBL9510661 0.77
SCHEMBL4689685 0.74 IDO1 (0.47) IDO1APPLMNAMAOBEPHX1
SCHEMBL534037 0.73 ADRB2 (0.50) IDO1APPLMNAMAOBMAOA
SCHEMBL28452339 0.72 IDO1 (0.48) IDO1APPMAOBMAOA
SCHEMBL3043068 0.72 CA2 (0.35) TAAR1
SCHEMBL649272 0.71 IDO1 (0.44) IDO1TAAR1
SCHEMBL3128080 0.71 IDO1 (0.52) IDO1APPMAOBMAOATAAR1

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
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed