SCHEMBL3402049

SCHEMBL3402049

C[SiH](C)OCc1cccc(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.58
AGXT P21549 2/20 0.58
MAOB P27338 11/20 0.55
TAAR1 Q96RJ0 3/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOA P21397 3/20 0.44
HCAR2 Q8TDS4 1/20 0.44
PARP15 Q460N3 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43

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
SCHEMBL1362259 0.95 IDO1 (0.53) IDO1AGXTMAOBTAAR1ALDH1A1
SCHEMBL29830809 0.78 IDO1 (0.64) IDO1AGXTMAOBTAAR1ALDH1A1
SCHEMBL514760 0.78 IDO1 (0.64) IDO1AGXTMAOBTAAR1ALDH1A1
SCHEMBL1767187 0.77 IDO1 (0.69) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL10623645 0.77 MAOB (0.47) IDO1AGXTMAOBALDH1A1MAOA
SCHEMBL106501 0.74 TSHR (0.52) IDO1AGXTMAOBALDH1A1SMN1; SMN2
SCHEMBL11019421 0.74 IDO1 (0.60) IDO1AGXTMAOBTAAR1ALDH1A1
SCHEMBL30487709 0.74 IDO1 (0.60) IDO1AGXTMAOBTAAR1ALDH1A1
SCHEMBL8132483 0.74 IDO1 (0.60) IDO1AGXTMAOBTAAR1ALDH1A1
SCHEMBL9347048 0.74 IDO1 (0.64) IDO1AGXTMAOBTAAR1MAOA

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-2249647-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed