SCHEMBL4848307

SCHEMBL4848307

Cc1cc(CCl)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
BACE1 P56817 1/20 0.55
PDE10A Q9Y233 3/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.46
NPFFR1 Q9GZQ6 1/20 0.46
NPFFR2 Q9Y5X5 1/20 0.46
ACHE P22303 1/20 0.45

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
SCHEMBL3969032 0.83 CYP1A2 (0.60) CYP1A2BACE1PDE10AKDM4EALDH1A1
SCHEMBL3396050 0.81 CYP1A2 (0.58) CYP1A2BACE1PDE10AKDM4EALDH1A1
SCHEMBL526457 0.81 CYP1A2 (0.58) CYP1A2BACE1PDE10AKDM4EALDH1A1
SCHEMBL28589683 0.81 CYP1A2 (0.58) CYP1A2BACE1PDE10AKDM4EALDH1A1
SCHEMBL3294354 0.81 KMT2A (0.50) CYP1A2BACE1PDE10AKDM4EALDH1A1
SCHEMBL9827778 0.80 CYP1A2 (0.39) CYP1A2BACE1PDE10AKDM4EALDH1A1
SCHEMBL13777688 0.80 KDM4E (0.62) CYP1A2BACE1PDE10AKDM4EALDH1A1
SCHEMBL28586067 0.80 MAPT (0.57) CYP1A2BACE1PDE10AKDM4EALDH1A1
SCHEMBL6089983 0.79 KMT2A (0.48) CYP1A2KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL15046538 0.79 CYP1A2 (0.55) CYP1A2BACE1PDE10AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105622609-B A kind of Li Gelieting preparation method 上海万巷制药有限公司 2017-08-25 CN claimed
CN-105622609-B A kind of Li Gelieting preparation method 上海万巷制药有限公司 2017-08-25 CN disclosed
CN-103319483-B A kind of preparation method of important intermediate of linagliptin 药源药物化学(上海)有限公司 2016-08-03 CN disclosed
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US 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
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
EP-0349062-A1 Quinoline ether alkanoic acid MERCK FROSST CANADA INC. (CA) 1990-01-03 EP 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-1989004303-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-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 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