SCHEMBL8438533

SCHEMBL8438533

Cc1ncc(CN2CCC(CO)(Cc3ccc4ccccc4n3)CC2)n1Cc1ccccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.38
FNTB P49356 4/20 0.38
PGGT1B P53609 4/20 0.38
ALOX5AP P20292 1/20 0.38
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.34
POLB P06746 3/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP7 Q93009 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7841845 0.87 FNTA (0.51) FNTAFNTBPGGT1BALOX5APLMNA
SCHEMBL8436946 0.85 GAA (0.48) FNTAFNTBPGGT1BLMNAGAA
SCHEMBL7839733 0.80 FNTA (0.55) FNTAFNTBPGGT1BLMNAGAA
SCHEMBL7839728 0.74 FNTA (0.51) FNTAFNTBPGGT1BLMNAGAA
SCHEMBL7837837 0.73 FNTA (0.50) FNTAFNTBPGGT1BLMNAGAA
SCHEMBL8438537 0.72 CYP19A1 (0.39) FNTAFNTBPGGT1BLMNAGAA
SCHEMBL7839572 0.71 FNTA (0.55) FNTAFNTBPGGT1BLMNAGAA
SCHEMBL7829812 0.70 FNTA (0.52) FNTAFNTBPGGT1BLMNAGAA
SCHEMBL7840054 0.69 FNTA (0.49) FNTAFNTBPGGT1BLMNAGAA
SCHEMBL7839131 0.68 FNTA (0.51) FNTAFNTBPGGT1BLMNAGAA

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
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed