SCHEMBL6605317

SCHEMBL6605317

O=C(CCN1CCNCC1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.51
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
NOTUM Q6P988 1/20 0.48
LTA4H P09960 1/20 0.47
TMEM97 Q5BJF2 3/20 0.47
SLC6A2 P23975 2/20 0.47
HRH2 P25021 2/20 0.47
HRH1 P35367 2/20 0.47
CHRM1 P11229 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
EGFR P00533 3/20 0.46
GAA P10253 1/20 0.45
HTR2C P28335 2/20 0.44
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA1D P25100 1/20 0.44

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
SCHEMBL8384876 0.92 SIGMAR1 (0.56) SIGMAR1ALDH1A1MAPK1L3MBTL1ITGB3
SCHEMBL22959810 0.89 ITGB3 (0.54) SIGMAR1ALDH1A1MAPK1L3MBTL1ITGB3
SCHEMBL9872609 0.88 ITGB3 (0.53) SIGMAR1ALDH1A1MAPK1L3MBTL1ITGB3
SCHEMBL11128528 0.87 EGFR (0.58) SIGMAR1ALDH1A1MAPK1L3MBTL1NOTUM
SCHEMBL25134221 0.86 EGFR (0.50) SIGMAR1ALDH1A1MAPK1L3MBTL1ITGB3
SCHEMBL6601404 0.85 EGFR (0.54) SIGMAR1ALDH1A1MAPK1L3MBTL1ITGB3
SCHEMBL12869921 0.85 EGFR (0.60) SIGMAR1ALDH1A1MAPK1L3MBTL1NOTUM
Hydrochloric Acid SCHEMBL21814218 0.84 EGFR (0.56) SIGMAR1ALDH1A1MAPK1L3MBTL1ITGB3
SCHEMBL25421283 0.84 EGFR (0.53) SIGMAR1ALDH1A1MAPK1L3MBTL1ITGB3
SCHEMBL5059161 0.84 EGFR (0.53) SIGMAR1ALDH1A1MAPK1L3MBTL1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1204889-C Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2005-06-08 CN disclosed
EP-0741133-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2004-01-28 EP disclosed
US-6455529-B1 OXAZOLIDIN-2-ONE DERIVATIVES; ANTICOAGULANTS; ANTIMETASTASIS, ANTICARCINOGENIC, ANTIISCHEMIC, AND ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS, ARTERIOSCLEROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-09-24 US disclosed
EP-0697408-B1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 2002-01-23 EP disclosed
EP-0608759-B1 Piperazine derivatives MERCK PATENT GMBH (DE) 2001-08-22 EP disclosed
CN-1069640-C Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2001-08-15 CN disclosed
CN-1056141-C Piperazine derivatives MERCK PATENT GESELLSCHAFTR MIT (DE) 2000-09-06 CN disclosed
CN-1052231-C Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2000-05-10 CN disclosed
EP-0623615-B1 Substituted 1-phenyl-oxazolidin-2-one derivatives, their preparation and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 1999-06-30 EP disclosed
US-5908843-A Piperazine compounds as fibrinogen inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-06-01 US disclosed
US-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed
CN-1132201-A Adhesion receptor antagonists MERCK PATENT GMBH (DE) 1996-10-02 CN disclosed
CN-1125575-A Adhesion receptor antagonists MERCK PATENT GMBH (DE) 1996-07-03 CN disclosed
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed
EP-0697408-A1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1996-02-21 EP disclosed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed
EP-0608759-A2 Piperazinderivatives MERCK PATENT GmbH (DE) 1994-08-03 EP disclosed