SCHEMBL7839751

SCHEMBL7839751

CC(C(=O)N1CCC(Cc2cccc(OC(F)(F)F)c2)(C(=O)O)CC1)c1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.54
FNTB P49356 12/20 0.54
PGGT1B P53609 10/20 0.54
CYP11B1 P15538 5/20 0.42
CYP11B2 P19099 5/20 0.42
CNR1 P21554 2/20 0.39
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7842405 0.91 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7831477 0.90 FNTA (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7832254 0.86 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7839747 0.79 FNTA (0.59) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7841107 0.79 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7831381 0.79 FNTA (0.44) FNTAFNTBPGGT1BCNR1
Hydrochloric Acid SCHEMBL7843372 0.79 FNTA (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7842402 0.78 FNTA (0.67) FNTAFNTBPGGT1BCYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL7974075 0.78 FNTA (0.64) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7840542 0.77 FNTA (0.51) 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-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed