SCHEMBL7933715

SCHEMBL7933715

CSc1ncccc1C(=O)N(Cc1cnc(Cc2ccc(C#N)cc2)[nH]1)C1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.41
SLC6A2 P23975 15/20 0.41
SLC6A4 P31645 15/20 0.41
SLC6A3 Q01959 11/20 0.41
KCNH2 Q12809 3/20 0.40
BRS3 P32247 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL7939447 0.83 BRS3 (0.54) MAPKAPK2SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7936788 0.83 SLC6A2 (0.46) MAPKAPK2SLC6A2SLC6A4SLC6A3BRS3
Hydrochloric Acid SCHEMBL7936709 0.82 SLC6A2 (0.46) MAPKAPK2SLC6A2SLC6A4SLC6A3BRS3
SCHEMBL7937465 0.79 SLC6A2 (0.54) MAPKAPK2SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL7937463 0.78 SLC6A2 (0.53) MAPKAPK2SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7939484 0.73 FNTA (0.59) KCNH2FNTAFNTBPGGT1B
SCHEMBL7939485 0.73 FNTA (0.59) KCNH2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7936809 0.72 SLC6A2 (0.46) MAPKAPK2SLC6A2SLC6A4SLC6A3BRS3
SCHEMBL7933791 0.72 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNH2BRS3
SCHEMBL7933703 0.71 FNTA (0.56) KCNH2FNTAFNTBPGGT1B

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