SCHEMBL5774531

SCHEMBL5774531

O=CN(c1ccncc1)C1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
IKBKB O14920 2/20 0.33
RPS6KA3 P51812 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
ADRB2 P07550 1/20 0.33
NCF1 P14598 1/20 0.33
PLD1 Q13393 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CDC7 O00311 1/20 0.33
CHUK O15111 2/20 0.31
CHRM5 P08912 1/20 0.31
CHKA P35790 1/20 0.31
HTR2C P28335 2/20 0.31
MAPK11 Q15759 2/20 0.30
MAPK14 Q16539 2/20 0.30
MAPK13 O15264 1/20 0.30

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
SCHEMBL4136645 0.83 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL13980906 0.80 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL5349895 0.74 CHRM5 (0.43) MKNK1MKNK2IKBKBRPS6KA3ADRB2
SCHEMBL27564890 0.69 SLC6A2 (0.45) MKNK1MKNK2ADRB2NCF1PLD1
SCHEMBL3245656 0.69 HTT (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL6895622 0.68 CHRM5 (0.41) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL14855593 0.67 TRPM8 (0.41)
SCHEMBL27547651 0.67 SLC6A4 (0.36) MKNK1MKNK2SLC6A2SLC6A4SLC6A3
SCHEMBL7295719 0.66 KIF11 (0.41) MAPK11MAPK14MAPK13MAPK12
SCHEMBL4617051 0.66 HTR2C (0.45) SLC6A2SLC6A4SLC6A3HTR2C

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-0931078-B1 NOVEL TRICYCLIC PIPERIDINYL COMPOUNDS USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORP (US) 2006-11-15 EP disclosed
US-5965570-A PHARMACEUTICAL COMPOSITIONS FOR INHIBITING THE ABNORMAL GROWTH OF CELLS; ADMINISTERING TO INHIBIT TUMOR CELLS WHEREIN THE RAS PROTEIN IS ACTIVATED AS A RESULT OF ONCOGENIC MUTATION IN GENES OTHER THAN THE RAS GENE SCHERING CORPORATION (US) 1999-10-12 US disclosed
EP-0931078-A1 NOVEL TRICYCLIC PIPERIDINYL COMPOUNDS USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1999-07-28 EP disclosed
WO-1998011098-A1 NOVEL TRICYCLIC PIPERIDINYL COMPOUNDS USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-03-19 WO disclosed