SCHEMBL6599152

SCHEMBL6599152

CC(c1cnc[nH]1)n1cc(-c2cccc3ccccc23)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.46
ADRA2B P18089 6/20 0.46
ADRA2C P18825 6/20 0.46
ADRA1A P35348 4/20 0.46
ADRA1D P25100 3/20 0.46
ADRA1B P35368 3/20 0.46
FNTA P49354 8/20 0.40
FNTB P49356 8/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL6609108 0.87 ADRA2A (0.48) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL6610935 0.85 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1AADRA1D
Toluene SCHEMBL27468825 0.85 FNTA (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1D
Fluorobenzene SCHEMBL27467411 0.84 FNTA (0.39) ADRA2AADRA2BADRA2CADRA1AADRA1D
Chlorobenzene SCHEMBL27467412 0.84 FNTA (0.39) ADRA2AADRA2BADRA2CADRA1AADRA1D
Bromobenzene SCHEMBL27481111 0.84 FNTA (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL6599649 0.83 FNTA (0.42) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL6599678 0.83 FNTA (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL27465418 0.83 FNTA (0.37) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL6608403 0.82 FNTA (0.45) ADRA2AADRA2BADRA2CADRA1AADRA1D

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 11 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 claimed
CN-1151148-C farnesyl transferase inhibitor with pyrrole structure and preparation method thereof LGCI��ʽ���� 2004-05-26 CN claimed
US-6511978-B1 For treating cancer, restenosis, atherosclerosis or viral infections LG LIFE SCIENCES, LTD. (KR) 2003-01-28 US claimed
CN-1346353-A farnesyl transferase inhibitor with pyrrole structure and preparation method thereof LG CHEMICAL LTD (KR) 2002-04-24 CN claimed
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
CN-1151148-C farnesyl transferase inhibitor with pyrrole structure and preparation method thereof LGCI��ʽ���� 2004-05-26 CN 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
CN-1346353-A farnesyl transferase inhibitor with pyrrole structure and preparation method thereof LG CHEMICAL LTD (KR) 2002-04-24 CN 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