SCHEMBL7933790

SCHEMBL7933790

N#Cc1ccc(Cn2cncc2CN[C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 19/20 1.00
FNTB P49356 19/20 1.00
PGGT1B P53609 15/20 1.00
KCNH2 Q12809 5/20 0.85
CYP3A4 P08684 1/20 0.68

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
SCHEMBL7933793 1.00 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7927658 0.92 FNTA (1.00) FNTAFNTBPGGT1BKCNH2
SCHEMBL7936811 0.92 FNTA (1.00) FNTAFNTBPGGT1BKCNH2
SCHEMBL7927654 0.92 FNTA (1.00) FNTAFNTBPGGT1BKCNH2
SCHEMBL7927578 0.89 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7927571 0.89 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7936044 0.86 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7936046 0.86 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7936711 0.86 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL12992251 0.85 FNTA (0.85) FNTAFNTBPGGT1BKCNH2

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