SCHEMBL7936044

SCHEMBL7936044

N#Cc1ccc(Cn2cncc2CN[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 1.00
FNTB P49356 20/20 1.00
PGGT1B P53609 15/20 1.00
KCNH2 Q12809 4/20 0.73
CYP3A4 P08684 1/20 0.66

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
SCHEMBL7936711 1.00 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7936046 1.00 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL12992434 0.89 FNTA (0.80) FNTAFNTBPGGT1BKCNH2
SCHEMBL12992357 0.89 FNTA (0.80) FNTAFNTBPGGT1BKCNH2
SCHEMBL7927654 0.88 FNTA (1.00) FNTAFNTBPGGT1BKCNH2
SCHEMBL7936811 0.88 FNTA (1.00) FNTAFNTBPGGT1BKCNH2
SCHEMBL7927658 0.88 FNTA (1.00) FNTAFNTBPGGT1BKCNH2
SCHEMBL7933790 0.86 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7933793 0.86 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7927538 0.84 FNTA (1.00) 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