SCHEMBL7933784

SCHEMBL7933784

N#Cc1ccc(Cn2cncc2CN(CCCCN)[C@@H]2CCN(Cc3ccccc3)C2=O)cc1

nearest known ligand 0.95

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.95
FNTB P49356 18/20 0.95
KCNH2 Q12809 8/20 0.95
PGGT1B P53609 12/20 0.86

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
SCHEMBL7933788 1.00 FNTA (0.95) FNTAFNTBKCNH2PGGT1B
SCHEMBL7937335 0.94 FNTA (0.91) FNTAFNTBKCNH2PGGT1B
SCHEMBL7937340 0.94 FNTA (0.91) FNTAFNTBKCNH2PGGT1B
SCHEMBL7939541 0.93 FNTA (1.00) FNTAFNTBKCNH2PGGT1B
SCHEMBL7939537 0.93 FNTA (1.00) FNTAFNTBKCNH2PGGT1B
SCHEMBL7937429 0.92 FNTA (1.00) FNTAFNTBKCNH2PGGT1B
SCHEMBL7937432 0.92 FNTA (1.00) FNTAFNTBKCNH2PGGT1B
Hydrochloric Acid SCHEMBL7937543 0.91 FNTA (0.98) FNTAFNTBKCNH2PGGT1B
Hydrochloric Acid SCHEMBL7939632 0.90 FNTA (0.98) FNTAFNTBKCNH2PGGT1B
SCHEMBL7933684 0.90 FNTA (1.00) FNTAFNTBKCNH2PGGT1B

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