SCHEMBL7933808

SCHEMBL7933808

N#Cc1ccc(Cn2cncc2CN[C@@H](c2ccccn2)C2CCN(Cc3ccccc3)C2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 0.66
FNTB P49356 20/20 0.66
PGGT1B P53609 16/20 0.66
KCNH2 Q12809 4/20 0.66
CYP3A4 P08684 1/20 0.56

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
SCHEMBL7933811 1.00 FNTA (0.66) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7927496 0.89 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7933743 0.89 FNTA (0.68) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7933751 0.89 FNTA (0.68) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7939634 0.82 FNTA (0.68) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7939534 0.80 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7934001 0.78 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7699025 0.76 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7699026 0.76 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7927638 0.75 FNTA (0.83) 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