SCHEMBL7937364

SCHEMBL7937364

N#Cc1ccc(Cn2cncc2CN(CCN2CCOCC2)C2CCN(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
PGGT1B P53609 9/20 1.00
KCNH2 Q12809 9/20 0.86
CYP3A4 P08684 1/20 0.60

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
SCHEMBL7937362 1.00 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7936698 0.92 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7936694 0.92 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7937449 0.90 FNTA (0.81) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7936927 0.87 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7936932 0.87 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7933814 0.86 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7933812 0.86 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7933839 0.86 FNTA (0.80) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7933835 0.86 FNTA (0.80) FNTAFNTBPGGT1BKCNH2CYP3A4

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