SCHEMBL7738170

SCHEMBL7738170

N#Cc1ccc(Cn2cncc2CN2C(=O)C(=O)c3ccccc32)cc1.N#Cc1ccc(Cn2cncc2Cc2nc3cnccc3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.42
FNTB P49356 6/20 0.42
PGGT1B P53609 2/20 0.40
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
ACHE P22303 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL7738171 0.94 FNTA (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8483629 0.85 CYP11B1 (0.54) FNTAFNTBCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8480807 0.84 CYP11B1 (0.53) FNTAFNTBCYP11B1CYP11B2
SCHEMBL8486743 0.84 FNTA (0.56) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7744225 0.83 FNTA (0.55) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7744195 0.79 CYP11B1 (0.55) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8484200 0.78 CYP11B1 (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8483632 0.78 CYP11B1 (0.54) FNTAFNTBCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8480811 0.77 CYP11B1 (0.53) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7744210 0.73 CYP11B1 (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP claimed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP claimed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO claimed
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed