SCHEMBL7842402

SCHEMBL7842402

COC(=O)C1(Cc2cccc(OC(F)(F)F)c2)CCN(Cc2cncn2Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 17/20 0.67
FNTB P49356 17/20 0.67
PGGT1B P53609 15/20 0.67
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47

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 SCHEMBL7974075 0.97 FNTA (0.64) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7839747 0.91 FNTA (0.59) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7829982 0.90 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7843367 0.89 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7838094 0.88 FNTA (0.66) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7831054 0.87 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL7843101 0.87 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7831376 0.86 FNTA (0.54) FNTAFNTBPGGT1B
SCHEMBL7840204 0.86 FNTA (0.67) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7839218 0.86 FNTA (0.65) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP claimed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP claimed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO claimed
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed