SCHEMBL7102655

SCHEMBL7102655

S=C(Nc1c[c]ccc1)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
ALDH1A1 P00352 2/20 0.50
IDO1 P14902 2/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.45
MAOA P21397 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL15484146 0.78 IDO1 (0.75) MAOBALDH1A1IDO1MAPTNPSR1
SCHEMBL6960682 0.76 MAPT (0.53) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7098462 0.74 MAOB (0.61) MAOBALDH1A1IDO1MAPTNPSR1
SCHEMBL6944649 0.73 MAOB (0.48) MAOBALDH1A1IDO1MAPTNPSR1
SCHEMBL6965156 0.72 MAPT (0.48) ALDH1A1MAPTKMT2AGAA
SCHEMBL6973539 0.72 TAS2R38 (0.57) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL29481122 0.71 IDO1 (0.79) MAOBALDH1A1IDO1MAPTMEN1
SCHEMBL26991 0.71 IDO1 (0.79) MAOBALDH1A1IDO1MAPTMEN1
SCHEMBL6815632 0.69 MAOB (0.69) MAOBALDH1A1IDO1MAPTNPSR1
Loflucarban SCHEMBL149841 0.69 MAOB (1.00) MAOBALDH1A1IDO1MAPTNPSR1

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-1339668-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2003-09-03 EP claimed
WO-2002044126-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2002-06-06 WO claimed