SCHEMBL7936119

SCHEMBL7936119

N#Cc1ccc(Cn2cncc2CN(C(=O)c2ccc3ccccc3c2)[C@@H]2CCNC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.51
SLC6A2 P23975 7/20 0.51
SLC6A3 Q01959 5/20 0.51
KCNH2 Q12809 4/20 0.51
FNTA P49354 8/20 0.47
FNTB P49356 8/20 0.47
PGGT1B P53609 4/20 0.46

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
SCHEMBL7936114 1.00 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3KCNH2FNTA
SCHEMBL7937082 1.00 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3KCNH2FNTA
SCHEMBL7933845 0.85 FNTA (0.49) KCNH2FNTAFNTBPGGT1B
SCHEMBL7933841 0.85 FNTA (0.49) KCNH2FNTAFNTBPGGT1B
SCHEMBL7933707 0.80 FNTA (0.56) KCNH2FNTAFNTBPGGT1B
SCHEMBL7933703 0.80 FNTA (0.56) KCNH2FNTAFNTBPGGT1B
SCHEMBL7936898 0.77 FNTA (0.50) KCNH2FNTAFNTBPGGT1B
SCHEMBL7939485 0.77 FNTA (0.59) KCNH2FNTAFNTBPGGT1B
SCHEMBL7939484 0.77 FNTA (0.59) KCNH2FNTAFNTBPGGT1B
SCHEMBL7939500 0.75 FNTA (0.41) SLC6A4SLC6A2SLC6A3KCNH2FNTA

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