SCHEMBL7927442

SCHEMBL7927442

N#Cc1ccc(Cc2ncc(CNCCCC3CCN(Cc4ccccc4)C3=O)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.46
FNTB P49356 18/20 0.46
PGGT1B P53609 14/20 0.46
KCNH2 Q12809 6/20 0.46
CYP3A4 P08684 1/20 0.39
PRKAA2 P54646 1/20 0.39

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
SCHEMBL7936033 0.98 KCNH2 (0.48) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7939463 0.83 KCNH2 (0.38) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8298317 0.79 BRS3 (0.48)
SCHEMBL7464954 0.78 FNTA (0.45) FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL8304229 0.78 BRS3 (0.47)
SCHEMBL7937509 0.77 FNTA (0.69) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7936234 0.77 FNTA (0.64) FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL7939633 0.76 FNTA (0.68) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7939637 0.76 FNTA (0.68) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7461836 0.74 FNTA (0.41) 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