SCHEMBL7855834

SCHEMBL7855834

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.54
FNTB P49356 12/20 0.54
PGGT1B P53609 8/20 0.52
CYP11B1 P15538 4/20 0.48
CYP11B2 P19099 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
USP2 O75604 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP19A1 P11511 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MCHR1 Q99705 1/20 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
SCHEMBL7831594 0.89 FNTA (0.55) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7832058 0.87 FNTA (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7972324 0.87 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7842379 0.86 CYP11B1 (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7841581 0.86 FNTA (0.58) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7973979 0.83 FNTA (0.63) FNTAFNTBPGGT1BCYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL7974573 0.81 FNTA (0.60) FNTAFNTBPGGT1B
SCHEMBL7849343 0.78 FNTA (0.58) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7831367 0.77 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7842219 0.76 FNTA (0.59) 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 4 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 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