SCHEMBL7974575

SCHEMBL7974575

Cc1ccccc1CC1(COC(=O)C(F)(F)F)CCN(Cc2cncn2Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 19/20 0.65
FNTB P49356 19/20 0.65
PGGT1B P53609 16/20 0.65
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL7974573 0.89 FNTA (0.60) FNTAFNTBPGGT1B
SCHEMBL7851850 0.87 FNTA (0.63) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7973979 0.85 FNTA (0.63) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7853068 0.82 FNTA (0.65) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7839757 0.82 FNTA (0.65) FNTAFNTBPGGT1B
SCHEMBL7842611 0.80 FNTA (0.62) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7849343 0.80 FNTA (0.58) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7971076 0.80 FNTA (0.65) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7840562 0.79 FNTA (0.64) FNTAFNTBPGGT1B
SCHEMBL7589808 0.79 FNTA (1.00) FNTAFNTBPGGT1B

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
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed