SCHEMBL7840503

SCHEMBL7840503

Cc1cccc(CC2(C(=O)NC(=O)Cc3cncn3Cc3ccc(C#N)cc3)CCNCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.53
FNTB P49356 10/20 0.53
PGGT1B P53609 6/20 0.53
CYP11B1 P15538 7/20 0.47
CYP11B2 P19099 7/20 0.47
KCNH2 Q12809 3/20 0.40
CYP19A1 P11511 1/20 0.40
CYP3A4 P08684 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
SCHEMBL7845339 0.89 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7844880 0.87 CYP11B1 (0.52) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7831433 0.86 FNTA (0.52) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7840500 0.80 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7838094 0.78 FNTA (0.66) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7845336 0.78 FNTA (0.65) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7844148 0.78 FNTA (0.59) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7844528 0.77 FNTA (0.58) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7839062 0.77 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7847959 0.76 FNTA (0.60) 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 3 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
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