SCHEMBL13349912

SCHEMBL13349912

O=Nc1cccc(OCCCC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.50
▸ KCNH2 Q12809 3/20 0.44
▸ CACNA1B Q00975 2/20 0.44
▸ CYP2D6 P10635 3/20 0.44
▸ MAOA P21397 1/20 0.40
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38

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
SCHEMBL10245926 0.82 MAPT (0.43) —
SCHEMBL14314265 0.77 RAB9A (0.40) MAOBMAOA
SCHEMBL14878920 0.77 MAPK1 (0.37) —
SCHEMBL27881252 0.77 MAOB (0.51) MAOBKCNH2CACNA1BCYP2D6
SCHEMBL12422467 0.76 CHRNB2 (0.54) MAOBKCNH2CACNA1BCYP2D6
SCHEMBL15004555 0.76 DRD2 (0.54) MAOBKCNH2CACNA1BCYP2D6
SCHEMBL849776 0.74 KMT2A (0.63) KCNH2CACNA1B
SCHEMBL28193581 0.74 KCNA3 (0.62) MAOBHDAC1HDAC2
SCHEMBL22964316 0.73 FFAR1 (0.50) MAOBMAOA
SCHEMBL4160475 0.73 KCNH2 (0.51) MAOBKCNH2CACNA1BCYP2D6

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-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 — — EP disclosed
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