SCHEMBL6601047

SCHEMBL6601047

COc1cccc(CCn2cncc2CO)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
HRH3 Q9Y5N1 3/20 0.49
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD4 P21917 1/20 0.43
DAO P14920 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
DUT P33316 1/20 0.42

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
Hydrochloric Acid SCHEMBL6599251 0.86 SIGMAR1 (0.50) SIGMAR1HRH3CYP11B1CYP11B2TAAR1
SCHEMBL6599140 0.84 CYP11B1 (0.60) SIGMAR1HRH3CYP11B1CYP11B2TAAR1
SCHEMBL6599521 0.80 CYP11B1 (0.43) CYP11B1CYP11B2TAAR1IDO1
SCHEMBL6926992 0.80 CYP11B1 (0.45) CYP11B1CYP11B2TAAR1DAOIDO1
SCHEMBL6599807 0.79 CYP11B1 (0.55) CYP11B1CYP11B2IDO1
SCHEMBL6921791 0.77 HRH3 (0.46) SIGMAR1HRH3CYP11B1CYP11B2
Anisole SCHEMBL27482942 0.74 CYP11B1 (0.50) CYP11B1CYP11B2HSP90AA1HSP90AB1
SCHEMBL6599011 0.74 SIGMAR1 (0.49) SIGMAR1HRH3TAAR1DAODUT
SCHEMBL6599385 0.74 CYP11B1 (0.48) HRH3CYP11B1CYP11B2TAAR1HSP90AA1
SCHEMBL6929673 0.72 CYP11B1 (0.75) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169320-B1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2004-09-22 EP disclosed
US-6511978-B1 For treating cancer, restenosis, atherosclerosis or viral infections LG LIFE SCIENCES, LTD. (KR) 2003-01-28 US disclosed
EP-1169320-A4 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2002-10-30 EP disclosed
EP-1169320-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG Chem Investment, Ltd. (KR) 2002-01-09 EP disclosed
WO-2000064891-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD. (KR) 2000-11-02 WO disclosed