SCHEMBL5164924

SCHEMBL5164924

O=C(O)Oc1coc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.54
ADORA2B P29275 3/20 0.46
MAOA P21397 5/20 0.43
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL6203939 0.88 MAOB (0.63) MAOBADORA2BMAOAPTPN1
SCHEMBL5761877 0.84 TSHR (0.50) MAOBADORA2BMAOANPC1MEN1
Ammonia Solution, Strong SCHEMBL5763481 0.82 TSHR (0.49) MAOBADORA2BMAOANPC1MEN1
SCHEMBL4474110 0.81 MAOB (0.47) MAOBADORA2BMAOANPC1MEN1
SCHEMBL13134182 0.80 MAOB (0.45) MAOBADORA2BMAOANPC1MEN1
SCHEMBL13134177 0.80 MAOB (0.45) MAOBADORA2BMAOAMEN1ALDH1A1
SCHEMBL31722071 0.77 MAOB (0.46) MAOBADORA2BMAOANPC1MAPT
SCHEMBL4784331 0.77 MAOB (0.46) MAOBADORA2BMAOANPC1MAPT
SCHEMBL7443073 0.77 MAOB (0.46) MAOBADORA2BMAOANPC1MAPT
SCHEMBL14631960 0.76 KCNA3 (0.50) MAOBMAOAMEN1ALDH1A1TP53

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-1761524-B1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SANOL ARZNEI SCHWARZ GMBH (DE) 2007-11-21 EP disclosed
EP-1761524-A1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SCHWARZ PHARMA AG (DE) 2007-03-14 EP disclosed
WO-2006072430-A1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SCHWARZ PHARMA AG (DE) 2006-07-13 WO disclosed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed