SCHEMBL5682116

SCHEMBL5682116

[CH2]CCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.59
TAAR1 Q96RJ0 2/20 0.50
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
CYP1A2 P05177 1/20 0.44
IDO1 P14902 2/20 0.42
AOC3 Q16853 1/20 0.42
MIF P14174 1/20 0.41
MCHR1 Q99705 1/20 0.40
LSS P48449 1/20 0.40
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
AHR P35869 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL840432 0.93 TAAR1 (0.56) MAOBTAAR1HTR3EHTR3BHTR3A
Zinc Chloride SCHEMBL29127903 0.86 TAAR1 (0.50) MAOBTAAR1HTR3EHTR3BHTR3A
SCHEMBL27882666 0.85 MAOB (0.53) MAOBTAAR1HTR3EHTR3BHTR3A
SCHEMBL28568621 0.84 TAAR1 (0.48) MAOBTAAR1HTR3EHTR3BHTR3A
SCHEMBL27900217 0.83 MAOB (0.52) MAOBTAAR1HTR3EHTR3BHTR3A
SCHEMBL5542059 0.80 MAOB (0.48) MAOBTAAR1HTR3EHTR3BHTR3A
SCHEMBL11711978 0.80 MAOB (0.52) MAOBTAAR1HTR3EHTR3BHTR3A
SCHEMBL27523912 0.80 MAOB (0.46) MAOBTAAR1HTR3EHTR3BHTR3A
SCHEMBL27882655 0.80 MAOB (0.69) MAOBTAAR1MCHR1
SCHEMBL2745550 0.79 GFER (0.42) MAOBTAAR1HTR3EHTR3BHTR3A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100351245-C Oxa- and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS OXFORD LTD (GB) 2007-11-28 CN claimed
EP-0934292-B1 METALLOPROTEINASE INHIBITORS VERNALIS OXFORD LTD (GB) 2006-03-15 EP claimed
CN-1646505-A Oxa- and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS OXFORD LTD (GB) 2005-07-27 CN claimed
EP-0960108-B1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2004-10-27 EP claimed
US-6790834-B1 Cytostatic agents BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2004-09-14 US claimed
EP-0998454-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-03-26 EP claimed
EP-0925278-B1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARM (GB) 2002-07-17 EP claimed
US-6271262-B1 AMIDESULFONAMIDE COMPOUNDS AS ENZYME INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-08-07 US claimed
CN-1300210-A Hydroxamic acid derivatives as antibacterials BRITISH BIOTECH PHARM (GB) 2001-06-20 CN claimed
US-6194451-B1 PREVENT RELEASE TUMOR NECROSIS FACTOR; ANTIINFLAMMATORY AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-27 US claimed
EP-0998454-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-05-10 EP claimed
US-6022873-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-02-08 US claimed
EP-0944597-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-29 EP claimed
EP-0934292-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-11 EP claimed
WO-1999003826-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-01-28 WO claimed
WO-1998023588-A9 METALLOPROTEINASE INHIBITORS 1998-09-17 WO claimed
WO-1998023588-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-04 WO claimed
WO-1998017655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-04-30 WO claimed
EP-0960108-B1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2004-10-27 EP disclosed
WO-1998017655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-04-30 WO disclosed