SCHEMBL7937545

SCHEMBL7937545

N#Cc1ccc(Cn2cncc2CN[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 18/20 1.00
FNTB P49356 18/20 1.00
PGGT1B P53609 14/20 1.00
KCNH2 Q12809 5/20 1.00
CYP3A4 P08684 1/20 1.00

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
SCHEMBL2352908 1.00 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL2352916 1.00 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7939170 0.99 FNTA (0.98) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7939168 0.99 FNTA (0.98) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL12991980 0.93 FNTA (0.87) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL12992215 0.93 FNTA (0.87) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL12991908 0.92 FNTA (0.88) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL12991786 0.92 FNTA (0.88) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7927571 0.91 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7939534 0.91 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