SCHEMBL7839160

SCHEMBL7839160

Cc1ncc(CN2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)n1Cc1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.53
MAPK1 P28482 2/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
FNTA P49354 4/20 0.50
FNTB P49356 4/20 0.50
PGGT1B P53609 4/20 0.50
POLB P06746 3/20 0.49
USP2 O75604 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL7839818 0.93 FNTA (0.48) NPSR1MAPK1GAAALDH1A1LMNA
SCHEMBL7838097 0.91 FNTA (0.55) NPSR1MAPK1GAAALDH1A1LMNA
SCHEMBL7839865 0.89 FNTA (0.53) NPSR1MAPK1GAAALDH1A1LMNA
SCHEMBL446699 0.88 FNTA (0.53) NPSR1GAALMNAL3MBTL1MEN1
SCHEMBL7840263 0.88 FNTA (0.53) NPSR1MAPK1GAAALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL7841379 0.88 FNTA (0.53) NPSR1MAPK1GAAALDH1A1LMNA
SCHEMBL7856913 0.87 FNTA (0.61) GAAALDH1A1LMNAL3MBTL1RAB9A
SCHEMBL7839572 0.87 FNTA (0.55) NPSR1MAPK1GAAALDH1A1LMNA
SCHEMBL7839131 0.85 FNTA (0.51) NPSR1MAPK1GAAALDH1A1LMNA
SCHEMBL7848346 0.84 FNTA (0.49) NPSR1MAPK1GAAALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed