SCHEMBL1675822

SCHEMBL1675822

Cc1cc(C(N)=O)ccc1N1CCOCC1=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.48
HTR7 P34969 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KLKB1 P03952 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL1479610 0.88 MYC (0.49) F10HTR7HSD17B10
SCHEMBL5212604 0.87 F10 (0.48) F10
SCHEMBL4907363 0.86 F10 (0.50) F10HTR7KLKB1POLB
SCHEMBL6441499 0.84 F10 (0.45) F10KDM4EALDH1A1HSD17B10LMNA
SCHEMBL4910068 0.83 PIK3CA (0.47) F10HTR7KDM4EALDH1A1HSD17B10
SCHEMBL77090 0.82 MAPT (0.47) F10KDM4EALDH1A1LMNA
SCHEMBL1675756 0.81 F10 (0.46) F10
SCHEMBL8306468 0.80 ALDH1A1 (0.49) F10KDM4EALDH1A1HSD17B10
SCHEMBL1379762 0.79 F10 (0.47) F10
SCHEMBL2744383 0.79 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4705015-B2 2011-06-22 JP claimed
JP-4668614-B2 2011-04-13 JP claimed
EP-1791597-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF Merck Patent GmbH (DE) 2007-06-06 EP claimed
JP-2006527708-A 2006-12-07 JP claimed
EP-1720844-A2 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GmbH (DE) 2006-11-15 EP claimed
JP-2006522033-A 2006-09-28 JP claimed
WO-2006032342-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF MERCK PATENT GMBH (DE) 2006-03-30 WO claimed
EP-1633346-A1 PYRROLIDIN-1, 2- DICARBOXYLIC ACID- 1- (4- ETHINYL- PHENYL) - AMID]- 2- (PHENYL)- AMID] DERIVATIVE AS INHIBITORS OF COAGULATION FACTOR XA AND VIIA FOR THE TREATMENT OF THROMBOSIS MERCK PATENT GmbH (DE) 2006-03-15 EP claimed
EP-1608646-A1 METHOD FOR THE PRODUCTION OF PYRROLIDINE-1,2-DICARBOXYLIC ACID-1-(PHENYL(-AMIDE))-2-(PHENYL(-AMIDE)) DERIVATIVES AND 1-(PHENYLCARBAMOYL)-PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AS INTERMEDIATE PRODUCTS MERCK PATENT GmbH (DE) 2005-12-28 EP claimed
WO-2004110433-A1 PYRROLIDIN-1, 2- DICARBOXYLIC ACID- 1- [(4- ETHINYL- PHENYL) - AMID]- 2- [(PHENYL)- AMID] DERIVATIVE AS INHIBITORS OF COAGULATION FACTOR XA AND VIIA FOR THE TREATMENT OF THROMBOSIS MERCK PATENT GMBH (DE) 2004-12-23 WO claimed
WO-2004087646-A2 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2004-10-14 WO claimed
WO-2004087695-A1 METHOD FOR THE PRODUCTION OF PYRROLIDINE-1,2-DICARBOXYLIC ACID-1-(PHENYL(-AMIDE))-2-(PHENYL(-AMIDE)) DERIVATIVES AND 1-(PHENYLCARBAMOYL)-PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AS INTERMEDIATE PRODUCTS MERCK PATENT GMBH (DE) 2004-10-14 WO claimed