SCHEMBL7689560

SCHEMBL7689560

N#Cc1ccc(Cc2ncc(CNC3CCCCN(Cc4cccc(Cl)c4)C3=O)[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.59
FNTB P49356 18/20 0.59
PGGT1B P53609 13/20 0.59
KCNH2 Q12809 4/20 0.59
CYP3A4 P08684 1/20 0.59

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 0.74 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7937545 0.74 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL2352916 0.74 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7939170 0.74 FNTA (0.98) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7939168 0.74 FNTA (0.98) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7936033 0.73 KCNH2 (0.48) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7927442 0.72 FNTA (0.46) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL12932153 0.72 FNTA (0.83) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7699025 0.71 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7699026 0.71 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-2002057223-A2 COMPOUNDS AZEPANE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS LES LABORATOIRES SERVIER (FR) 2002-07-25 WO claimed