SCHEMBL7973979

SCHEMBL7973979

Cc1ccccc1CC1(CO)CCN(Cc2cncn2Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.63
FNTB P49356 18/20 0.63
PGGT1B P53609 13/20 0.63
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51

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 0.93 FNTA (0.60) FNTAFNTBPGGT1B
SCHEMBL7851850 0.90 FNTA (0.63) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7842611 0.87 FNTA (0.62) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7972324 0.87 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7831554 0.87 POLB (0.60) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7974575 0.85 FNTA (0.65) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7839757 0.85 FNTA (0.65) FNTAFNTBPGGT1B
SCHEMBL7842570 0.85 FNTA (0.63) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7853068 0.84 FNTA (0.65) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7855834 0.83 FNTA (0.54) 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 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