SCHEMBL7976856

SCHEMBL7976856

Cc1cccc(C2(O)CCN(C(=O)Cc3cncn3Cc3ccc(C#N)cc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.57
FNTB P49356 14/20 0.57
PGGT1B P53609 8/20 0.57
CYP11B1 P15538 5/20 0.50
CYP11B2 P19099 5/20 0.50
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL7516320 0.87 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7844148 0.86 FNTA (0.59) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7844528 0.85 FNTA (0.58) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7840500 0.84 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7847959 0.83 FNTA (0.60) FNTAFNTBPGGT1BCYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL7976927 0.83 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL7960853 0.82 FNTA (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL7832064 0.80 FNTA (0.55) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7960854 0.80 FNTA (0.58) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7831475 0.78 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed