SCHEMBL6599647

SCHEMBL6599647

O=[N+]([O-])c1cn(Cc2cncn2CCc2ccccc2)cc1-c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.50
FNTB P49356 14/20 0.50
PGGT1B P53609 3/20 0.42
CYP3A4 P08684 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
SCHEMBL6605790 0.93 FNTA (0.46) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6599584 0.93 FNTA (0.44) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6608400 0.93 FNTA (0.44) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6609116 0.91 FNTA (0.46) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6599682 0.91 FNTA (0.44) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6598793 0.90 FNTA (0.47) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6602758 0.89 FNTA (0.46) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6610933 0.85 FNTA (0.48) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6599130 0.85 FNTA (0.52) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6599149 0.84 FNTA (0.57) FNTAFNTBPGGT1BCYP3A4

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 1 patent. 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