SCHEMBL7839327

SCHEMBL7839327

COC(=O)C1(Cc2cccc(C)c2)CCN(C(=O)c2cncn2Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.55
FNTB P49356 12/20 0.55
CYP11B1 P15538 5/20 0.55
CYP11B2 P19099 5/20 0.55
PGGT1B P53609 8/20 0.53
USP2 O75604 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 1/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNH2 Q12809 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL7844877 0.90 FNTA (0.57) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7831367 0.87 FNTA (0.57) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7842219 0.87 FNTA (0.59) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7838094 0.86 FNTA (0.66) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7842379 0.86 CYP11B1 (0.53) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7841581 0.86 FNTA (0.58) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7839062 0.84 FNTA (0.57) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7839060 0.84 FNTA (0.49) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7831475 0.83 FNTA (0.51) FNTAFNTBCYP11B1CYP11B2PGGT1B
Trifluoroacetic Acid SCHEMBL7970903 0.83 FNTA (0.53) FNTAFNTBCYP11B1CYP11B2PGGT1B

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 8 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
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed