SCHEMBL7936010

SCHEMBL7936010

CCSc1ncccc1C(=O)N(Cc1cncn1Cc1ccccc1C#N)C1CCNC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.46
FNTB P49356 4/20 0.46
KCNH2 Q12809 5/20 0.45
SLC6A2 P23975 12/20 0.41
SLC6A4 P31645 12/20 0.41
SLC6A3 Q01959 10/20 0.41
CYP2D6 P10635 2/20 0.41
PGGT1B P53609 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7939484 0.89 FNTA (0.59) FNTAFNTBKCNH2PGGT1B
SCHEMBL7939485 0.89 FNTA (0.59) FNTAFNTBKCNH2PGGT1B
SCHEMBL7933723 0.83 FNTA (0.43) FNTAFNTBKCNH2SLC6A2SLC6A4
SCHEMBL7939500 0.80 FNTA (0.41) FNTAFNTBKCNH2SLC6A2SLC6A4
SCHEMBL7933707 0.77 FNTA (0.56) FNTAFNTBKCNH2PGGT1B
SCHEMBL7933703 0.77 FNTA (0.56) FNTAFNTBKCNH2PGGT1B
SCHEMBL7933845 0.70 FNTA (0.49) FNTAFNTBKCNH2PGGT1B
SCHEMBL7933841 0.70 FNTA (0.49) FNTAFNTBKCNH2PGGT1B
SCHEMBL7936119 0.67 SLC6A4 (0.51) FNTAFNTBKCNH2SLC6A2SLC6A4
SCHEMBL7937082 0.67 SLC6A4 (0.51) FNTAFNTBKCNH2SLC6A2SLC6A4

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
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed