SCHEMBL4345940

SCHEMBL4345940

N#CC1(c2ccccc2)CC1I

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.38
MAOA P21397 8/20 0.38
KDM1A O60341 5/20 0.34
OPRM1 P35372 2/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL4811682 0.79 MAOB (0.38) MAOBMAOA
SCHEMBL5479147 0.79 MAOB (0.38) MAOBMAOAKDM1AOPRM1OPRL1
SCHEMBL1560264 0.78 HTR2C (0.41) OPRM1OPRL1
SCHEMBL6230490 0.76 MAOA (0.48) MAOBMAOAKDM1A
SCHEMBL8072323 0.75 OPRL1 (0.35) MAOBMAOAKDM1AOPRM1OPRL1
SCHEMBL11126717 0.75 LMNA (0.36) MAOBMAOAKDM1AOPRM1OPRL1
SCHEMBL4808314 0.74 MAOB (0.35) MAOBOPRM1
SCHEMBL11133978 0.73 HTR2C (0.36) MAOBMAOAOPRM1
SCHEMBL13224854 0.73 PTGS2 (0.36) MAOBMAOAOPRM1
SCHEMBL4402453 0.73 PTGS2 (0.36) MAOBMAOAOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
EP-1981504-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV Remynd (BE) 2008-10-22 EP disclosed
EP-1960376-A1 OXADIAZOLE DERIVATIVES WITH CRTH2 RECEPTOR ACTIVITY 7TM Pharma A/S (DK) 2008-08-27 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 WO disclosed
WO-2007062773-A1 OXADIAZOLE DERIVATIVES WITH CRTH2 RECEPTOR ACTIVITY 7TM PHARMA A/S (DK) 2007-06-07 WO disclosed