SCHEMBL7844148

SCHEMBL7844148

Cc1cccc(CC2(C#N)CCN(C(=O)Cc3cncn3Cc3ccc(C#N)cc3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.59
FNTB P49356 13/20 0.59
PGGT1B P53609 9/20 0.59
CYP11B1 P15538 5/20 0.49
CYP11B2 P19099 5/20 0.49
KCNH2 Q12809 2/20 0.43
CYP3A4 P08684 1/20 0.43

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 SCHEMBL7976927 0.95 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7844528 0.89 FNTA (0.58) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7840500 0.89 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7842219 0.87 FNTA (0.59) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7847959 0.87 FNTA (0.60) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7830778 0.87 FNTA (0.63) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7844340 0.87 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7976856 0.86 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7843563 0.85 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL7960853 0.84 FNTA (0.53) 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 5 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
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed