SCHEMBL7010644

SCHEMBL7010644

CCOC(=O)c1cccn1-c1ccc(Cl)c(CO)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
GABRA2 P47869 7/20 0.39
GABRB2 P47870 7/20 0.39
ALDH1A1 P00352 6/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
PDE4B Q07343 1/20 0.36
METTL3 Q86U44 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
PPARG P37231 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7014193 0.85 GABRA2 (0.36) GABRA2GABRB2ALDH1A1MAPTKDM4E
SCHEMBL7013353 0.79 GABRB2 (0.38) GABRA2GABRB2ALDH1A1MAPTKDM4E
SCHEMBL7015356 0.73 BDKRB2 (0.56)
SCHEMBL7015358 0.73 BDKRB2 (0.56)
SCHEMBL7015355 0.73 BDKRB2 (0.37) ALDH1A1MAPTMAPK1NPSR1LMNA
SCHEMBL7011653 0.71 CYP1A2 (0.49) NOTUMALDH1A1MAPTKDM4ELMNA
SCHEMBL7014514 0.71 NOTUM (0.46) NOTUMALDH1A1KDM4EL3MBTL1GAA
SCHEMBL7010418 0.71 CYP1A2 (0.47) NOTUMALDH1A1MAPTL3MBTL1LMNA
SCHEMBL4787448 0.70 MAPT (0.54) GABRA2GABRB2ALDH1A1MAPTKDM4E
SCHEMBL7008371 0.70 CNR2 (0.40) NOTUMALDH1A1MAPTKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861243-B1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-12 EP disclosed
US-6344462-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-05 US disclosed
US-6100284-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-08 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed