SCHEMBL6200744

SCHEMBL6200744

COc1c[c]cc(CN2CCN(C)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.50
SIGMAR1 Q99720 3/20 0.48
MC4R P32245 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
HTR6 P50406 2/20 0.43
LMNA P02545 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL15830266 0.76 CHKA (0.51) CHKASIGMAR1MC4RALDH1A1HTR1A
SCHEMBL14076364 0.76 SIGMAR1 (0.79) SIGMAR1MC4RALDH1A1HTR1AKDM4E
SCHEMBL2935699 0.75 GAA (0.52) CHKASIGMAR1MC4RALDH1A1HTR1A
SCHEMBL18390558 0.75 CHKA (0.50) CHKASIGMAR1MC4RALDH1A1KDM4E
SCHEMBL12126812 0.75 CHKA (0.79) CHKASIGMAR1MC4RALDH1A1LMNA
SCHEMBL2747376 0.74 CHKA (0.51) CHKAMC4RALDH1A1HTR6LMNA
SCHEMBL16217385 0.73 ALDH1A1 (0.54) CHKASIGMAR1MC4RALDH1A1HTR1A
SCHEMBL18672925 0.73 CHKA (0.48) CHKASIGMAR1MC4RALDH1A1HTR6
SCHEMBL455748 0.70 PTGS2 (0.39) ALDH1A1
SCHEMBL25834338 0.69 KDM4E (0.69) ALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed