SCHEMBL4841335

SCHEMBL4841335

CC(Cl)Cc1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYSLTR1 Q9Y271 4/20 0.46
CYSLTR2 Q9NS75 2/20 0.46
PDE10A Q9Y233 1/20 0.43
GPBAR1 Q8TDU6 3/20 0.43
ALOX5AP P20292 1/20 0.41
NCF1 P14598 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL9827602 0.91 CYP1A2 (0.47) CYP1A2CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL10533992 0.89 CYP1A2 (0.46) CYP1A2CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL5690187 0.85 CYP1A2 (0.57) CYP1A2CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL29399169 0.85 CYP1A2 (0.57) CYP1A2CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL117318 0.85 CYP1A2 (0.57) CYP1A2CYSLTR1CYSLTR2PDE10AGPBAR1
Hydrochloric Acid SCHEMBL28287683 0.83 CYP1A2 (0.56) CYP1A2CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL8617798 0.81 CYP1A2 (0.58) CYP1A2CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL7247476 0.81 CYP1A2 (0.54) CYP1A2CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL14478292 0.81 CYP1A2 (0.54) CYP1A2CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL14478261 0.81 CYP1A2 (0.54) CYP1A2CYSLTR1CYSLTR2PDE10AGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
CN-101070316-A Diaryl acid derivatives as PPAR receptor ligands AVENTIS PHARMA GMBH (DE) 2007-11-14 CN disclosed
CN-1331862-C Diaryl acid derivatives as PPAR receptor ligands AVENTIS PHARAMCEUTICALS PRODUC (DE) 2007-08-15 CN disclosed
EP-0784052-B1 Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation AVENTIS HOLDINGS INC (US) 2004-09-01 EP disclosed
US-6635655-B1 Agonists or antagonists of peroxisome proliferator-activated receptors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-21 US disclosed
EP-1267874-A2 THERAPEUTIC USES OF PPAR MEDIATORS Aventis Pharma Deutschland GmbH (DE) 2003-01-02 EP disclosed
EP-1030665-A4 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARM PROD INC (US) 2002-11-27 EP disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-1177187-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2001066098-A2 THERAPEUTIC USES OF PPAR MEDIATORS AVENTIS PHARMA DEUTSCHLAND GMBH 2001-09-13 WO disclosed
EP-0397697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-07-03 EP disclosed
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US disclosed
EP-0397697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4?. RORER INT OVERSEAS (US) 1990-11-22 EP disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4920131-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004304-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed
EP-0260305-A4 QUINOLINYL ETHER TETRAZOLE AS AGENT FOR THE TREATMENT OF HYPERSENSITIVE AILMENTS. RORER INTERNAT OVERSEAS INC (US) 1988-07-04 EP disclosed
EP-0260305-A1 QUINOLINYL ETHER TETRAZOLE AS AGENT FOR THE TREATMENT OF HYPERSENSITIVE AILMENTS. RORER INT OVERSEAS (US) 1988-03-23 EP disclosed
WO-1987005510-A1 QUINOLINYL ETHER OR THIOETHER TETRAZOLES AS AGENTS FOR THE TREATMENT OF HYPERSENSITIVE AILMENTS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1987-09-24 WO disclosed