SCHEMBL4846265

SCHEMBL4846265

ClCCc1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.50
CYSLTR2 Q9NS75 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NCF1 P14598 1/20 0.43
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL9757120 0.91 PDE10A (0.44) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL10518603 0.88 CYSLTR1 (0.51) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL2913941 0.87 PDE10A (0.61) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL8503996 0.86 CYSLTR1 (0.50) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL9827602 0.85 CYP1A2 (0.47) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL9829226 0.84 CYP1A2 (0.46) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL10536305 0.83 CYP1A2 (0.44) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL498405 0.83 CYSLTR1 (0.53) PDE10ACYSLTR2CYSLTR1CYP1A2NCF1
SCHEMBL6798820 0.83 CYSLTR2 (0.53) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL29353900 0.83 CYSLTR1 (0.53) PDE10ACYSLTR2CYSLTR1CYP1A2NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674102-A Halogenated quinoline compound and preparation method thereof 广东工业大学 2017-05-17 CN claimed
CN-106674102-A Halogenated quinoline compound and preparation method thereof 广东工业大学 2017-05-17 CN disclosed
CN-106674102-A Halogenated quinoline compound and preparation method thereof 广东工业大学 2017-05-17 CN disclosed
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-4920132-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
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989012628-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-28 WO disclosed
EP-0348155-A1 Quinoline derivatives as antagonists of leukotriene D4, compositions containing the same and processes for their preparation RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1989-12-27 EP disclosed
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO 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