SCHEMBL7936927

SCHEMBL7936927

N#Cc1ccc(Cn2cncc2CN(CCCN)[C@@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 17/20 1.00
FNTB P49356 17/20 1.00
KCNH2 Q12809 9/20 0.85
PGGT1B P53609 9/20 0.85
CYP3A4 P08684 1/20 0.64

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
SCHEMBL7936932 1.00 FNTA (1.00) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7933814 0.92 FNTA (1.00) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7933812 0.92 FNTA (1.00) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7933788 0.90 FNTA (0.95) FNTAFNTBKCNH2PGGT1B
SCHEMBL7933784 0.90 FNTA (0.95) FNTAFNTBKCNH2PGGT1B
SCHEMBL7933839 0.89 FNTA (0.80) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7933835 0.89 FNTA (0.80) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7936698 0.88 FNTA (1.00) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7936694 0.88 FNTA (1.00) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7937335 0.88 FNTA (0.91) 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 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