SCHEMBL6599502

SCHEMBL6599502

Cc1cc2c(c(P(c3ccccc3)c3ccccc3)c1C)Cc1ccccc1O2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MAPKAPK2 P49137 1/20 0.39
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ACSL1 P33121 1/20 0.30

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
SCHEMBL6599506 0.80 MAOA (0.43) MAOAMAOBMAPKAPK2NPC1LMNA
SCHEMBL11127249 0.79 MAOA (0.53) MAOAMAOBMAPKAPK2NPC1LMNA
SCHEMBL28660534 0.77 MAOA (0.40) MAOAMAOBMAPKAPK2
SCHEMBL30770347 0.77 MAOA (0.40) MAOAMAOBMAPKAPK2
SCHEMBL11297104 0.77 MAOA (0.40) MAOAMAOBMAPKAPK2
SCHEMBL30168142 0.76 MAOA (0.46) MAOAMAOBMAPKAPK2NPC1LMNA
SCHEMBL2658102 0.76 MAOA (0.46) MAOAMAOBMAPKAPK2NPC1LMNA
SCHEMBL115187 0.71 MAOA (0.50) MAOAMAOBMAPKAPK2NPC1LMNA
SCHEMBL29490369 0.68 MAOA (0.55) MAOAMAOBMAPKAPK2NPC1LMNA
SCHEMBL367138 0.68 MAOA (0.55) MAOAMAOBMAPKAPK2NPC1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395555-A1 4-(PHENYL-(PIPERIDIN-4-YL)-AMINO)-BENZAMIDE DERATIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2004-03-10 EP disclosed
EP-1395557-A1 4-(phenyl-(piperidin-4-yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders AstraZeneca AB (SE) 2004-03-10 EP disclosed
WO-2002094785-A1 4-(phenyl-(piperidin-4-yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2002-11-28 WO disclosed
WO-2002094782-A1 4-(PHENYL-(PIPERIDIN-4-YL)-AMINO)-BENZAMIDE DERATIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2002-11-28 WO disclosed