SCHEMBL6599547

SCHEMBL6599547

COc1ccccc1CCn1c(Cn2cc(C(=O)N3CCN(C)CC3)c(-c3cccc4ccccc34)c2)cnc1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.52
FNTB P49356 9/20 0.52
PGGT1B P53609 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
HTR2C P28335 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MCL1 Q07820 1/20 0.37
BAD Q92934 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
SCHEMBL6599878 0.88 FNTA (0.55) FNTAFNTBPGGT1BCYP3A4KDM4E
SCHEMBL6983944 0.86 FNTA (0.65) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL6598311 0.83 FNTA (0.52) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL6600323 0.79 FNTA (0.76) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL6599549 0.78 FNTA (0.52) FNTAFNTBPGGT1BCYP3A4KDM4E
SCHEMBL6972928 0.77 FNTA (0.71) FNTAFNTBPGGT1BCYP3A4KDM4E
SCHEMBL6972967 0.75 FNTA (0.75) FNTAFNTBPGGT1BCYP3A4KDM4E
SCHEMBL6982585 0.75 FNTA (0.67) FNTAFNTBPGGT1BCYP3A4KDM4E
SCHEMBL6982723 0.75 FNTA (0.67) FNTAFNTBPGGT1BCYP3A4KDM4E
SCHEMBL7545329 0.75 FNTA (0.52) FNTAFNTBPGGT1BCYP3A4KDM4E

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