SCHEMBL6311798

SCHEMBL6311798

CC(C)c1[c]c(Br)ccc1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRA1 P14867 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
HTR2B P41595 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL60696 0.82 GABRA1 (0.38) FAAHCA1CA2LMNACYP1A2
SCHEMBL16440037 0.79 TSHR (0.35) GABRA1TSHRGABRB2
SCHEMBL29205117 0.78 FAAH (0.32) FAAHCA1CA2LMNACYP1A2
SCHEMBL466363 0.78 FAAH (0.32) FAAHCA1CA2LMNACYP1A2
SCHEMBL1066355 0.78
SCHEMBL208330 0.73
SCHEMBL403171 0.72
SCHEMBL16553560 0.71 FAAH (0.31) FAAHCA1CA2LMNACYP1A2
SCHEMBL2698492 0.71 CYP1A2 (0.31) FAAHCA1CA2LMNACYP1A2
SCHEMBL7548863 0.71 GABRA1 (0.41) FAAHCA1CA2LMNACYP1A2

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
CN-101952329-A Catalyst sytem for olefin polymerization comprising phenantroline-comprising iron complexes BASELL POLYOLEFINE GMBH 2011-01-19 CN disclosed
CN-101903418-A Phenanthroline-containing complexes BASELL POLYOLEFINE GMBH 2010-12-01 CN disclosed
CN-1217699-C Preventives or remedies for arrhythmia SHIONOGI & CO (JP) 2005-09-07 CN disclosed
CN-1217942-C Pyrrolidine derivatives having phospholipase A inhibitory activity SHIONOGI & CO (JP) 2005-09-07 CN disclosed
US-6924301-B1 Composition for treating or preventing arrhythmia SHIONOGI & CO., LTD. (JP) 2005-08-02 US disclosed
EP-0976748-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-12-03 EP disclosed
CN-1411379-A Preventives or remedies for arrhythmia SHIONOGI & CO (JP) 2003-04-16 CN disclosed
EP-1240906-A1 PREVENTIVES OR REMEDIES FOR ARRHYTHMIA SHIONOGI & CO., LTD. (JP) 2002-09-18 EP disclosed
US-6147100-A ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
CN-1251587-A Pyrrolidine derivatives having phospholipase A inhibitory activity SHIONOGI & CO (JP) 2000-04-26 CN disclosed
EP-0976748-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2000-02-02 EP disclosed
CN-1230184-A Arylamino fused pyridines and pyrimidines DU PONT MERCK PHARMA (US) 1999-09-29 CN disclosed