SCHEMBL7842405

SCHEMBL7842405

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.54
FNTB P49356 12/20 0.54
PGGT1B P53609 11/20 0.54
CYP11B1 P15538 5/20 0.43
CYP11B2 P19099 5/20 0.43
CNR1 P21554 2/20 0.41

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
SCHEMBL7839751 0.91 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7841107 0.89 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7843372 0.88 FNTA (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7831381 0.88 FNTA (0.44) FNTAFNTBPGGT1BCNR1
SCHEMBL7840542 0.87 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7831056 0.86 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7840206 0.86 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7839060 0.82 FNTA (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7831648 0.81 FNTA (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7842402 0.80 FNTA (0.67) 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 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