SCHEMBL7678087

SCHEMBL7678087

CCS(=O)(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(=O)NCCc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.51
FNTB P49356 18/20 0.51
PGGT1B P53609 17/20 0.51
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
KCNH2 Q12809 1/20 0.45

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
SCHEMBL7682600 0.94 FNTA (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7673415 0.93 FNTA (0.52) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL4459587 0.91 FNTA (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7679247 0.85 FNTA (0.50) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8095394 0.81 FNTA (0.60) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL4409108 0.79 MMP1 (0.49) FNTAFNTBPGGT1B
SCHEMBL8103587 0.79 ALDH1A1 (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8104389 0.79 ALDH1A1 (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8423622 0.79 ALDH1A1 (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7681229 0.79 FNTA (0.48) FNTAFNTBPGGT1BKCNH2

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
US-6432959-B1 ANTITUMOR AGENTS SCHERING CORPORATION 2002-08-13 US disclosed
EP-1140909-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2001-10-10 EP disclosed
WO-2000039119-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-07-06 WO disclosed