SCHEMBL27704583

SCHEMBL27704583

NN(C=O)CCc1cc(=O)oc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.58
▸ CA9 Q16790 1/20 0.58
▸ MAOB P27338 5/20 0.57
▸ MAOA P21397 3/20 0.57
▸ BCHE P06276 2/20 0.57
▸ ACHE P22303 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ CASP3 P42574 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ SENP8 Q96LD8 1/20 0.57
▸ SENP7 Q9BQF6 1/20 0.57
▸ SENP6 Q9GZR1 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57

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
SCHEMBL27725173 0.90 MAOB (0.63) CA12CA9MAOBMAOABCHE
SCHEMBL27725265 0.89 MAOB (0.72) MAOBMAOA
SCHEMBL4211377 0.81 MAOB (0.68) CA12CA9MAOBMAOABCHE
SCHEMBL4209951 0.81 MAOB (0.66) CA12CA9MAOBMAOABCHE
SCHEMBL27704542 0.80 MAOB (0.70) MAOBMAOA
SCHEMBL4203723 0.79 CA12 (0.71) CA12CA9MAOBMAOANPC1
SCHEMBL4206741 0.77 NPC1 (0.59) CA12CA9MAOBMAOANPC1
SCHEMBL29116822 0.77 MAOB (0.74) CA12CA9MAOBMAOAACHE
SCHEMBL17931588 0.76 MAOB (0.74) MAOBMAOABCHEACHENPC1
SCHEMBL4211668 0.74 — —

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
CN-101137638-A Substituted aminoalkyl-and amidoalkyl-benzopyran derivatives NEWRON PHARM SPA (IT) 2008-03-05 — — CN claimed
CN-101137638-A Substituted aminoalkyl-and amidoalkyl-benzopyran derivatives NEWRON PHARM SPA (IT) 2008-03-05 — — CN disclosed
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