SCHEMBL7843563

SCHEMBL7843563

Cc1cccc(CC2(C#N)CCN(CCc3cncn3Cc3ccc(C#N)cc3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.54
FNTB P49356 13/20 0.54
PGGT1B P53609 10/20 0.54
CYP11B1 P15538 6/20 0.51
CYP11B2 P19099 6/20 0.51
KCNH2 Q12809 1/20 0.45
NRAS P01111 1/20 0.44
HRAS P01112 1/20 0.44
CYP19A1 P11511 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 SCHEMBL7972327 0.92 FNTA (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7830778 0.92 FNTA (0.63) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7832499 0.85 FNTA (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7844148 0.85 FNTA (0.59) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7839062 0.85 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7840756 0.82 CYP11B1 (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7843560 0.81 CYP11B1 (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7842219 0.80 FNTA (0.59) FNTAFNTBPGGT1BCYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL7976927 0.80 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7842570 0.80 FNTA (0.63) 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