SCHEMBL7832058

SCHEMBL7832058

Cc1ccccc1CC1(C(N)=O)CCN(C(=O)c2cncn2Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.53
FNTB P49356 13/20 0.53
PGGT1B P53609 9/20 0.51
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP19A1 P11511 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 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
SCHEMBL7842379 0.90 CYP11B1 (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7831594 0.88 FNTA (0.55) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7855834 0.87 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7831441 0.87 FNTA (0.56) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7844877 0.86 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7839757 0.86 FNTA (0.65) FNTAFNTBPGGT1B
SCHEMBL7832061 0.78 CYP11B1 (0.50) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7848289 0.78 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7973044 0.78 FNTA (0.56) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7839327 0.76 FNTA (0.55) 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 7 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
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed