SCHEMBL8436946

SCHEMBL8436946

Cc1ncc(CN2CCC(CO)(Cc3ccccc3)CC2)n1Cc1ccccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 6/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
FNTA P49354 3/20 0.45
FNTB P49356 3/20 0.45
PGGT1B P53609 3/20 0.45
ATM Q13315 2/20 0.44
PKM P14618 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
OPRK1 P41145 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7839733 0.86 FNTA (0.55) GAALMNAPOLBALDH1A1MAPT
SCHEMBL7856913 0.86 FNTA (0.61) GAALMNAPOLBALDH1A1MAPT
SCHEMBL8438533 0.85 FNTA (0.38) GAALMNAPOLBALDH1A1FNTA
SCHEMBL7839572 0.82 FNTA (0.55) GAALMNAPOLBALDH1A1MAPT
SCHEMBL7838097 0.79 FNTA (0.55) GAALMNAPOLBALDH1A1MAPT
SCHEMBL7839865 0.78 FNTA (0.53) GAALMNAPOLBALDH1A1MAPT
SCHEMBL446699 0.77 FNTA (0.53) GAALMNAPOLBMAPTFNTA
SCHEMBL7829812 0.76 FNTA (0.52) GAALMNAPOLBALDH1A1MAPT
SCHEMBL7839131 0.76 FNTA (0.51) GAALMNAPOLBALDH1A1FNTA
SCHEMBL7839160 0.74 NPSR1 (0.53) GAALMNAPOLBALDH1A1MAPT

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