SCHEMBL7536083

SCHEMBL7536083

N#Cc1ccc(Cn2cncc2C(C(N)=O)(C(=O)O)C2Cc3ccccc3CN2Cc2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 19/20 0.48
FNTB P49356 19/20 0.48
PGGT1B P53609 4/20 0.48
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 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
SCHEMBL7477935 0.90 FNTA (0.48) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7540069 0.89 FNTA (0.52) FNTAFNTBPGGT1B
SCHEMBL7536078 0.86 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7533109 0.86 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7533619 0.83 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL7474431 0.79 FNTA (0.43) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7536077 0.77 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL7535019 0.76 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7475174 0.74 FNTA (0.43) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7537460 0.73 FNTA (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045844-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-08-21 EP disclosed
EP-1045844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
WO-1999028314-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed