SCHEMBL7679247

SCHEMBL7679247

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 19/20 0.50
FNTB P49356 19/20 0.50
PGGT1B P53609 17/20 0.50
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
KCNH2 Q12809 2/20 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
SCHEMBL7673415 0.86 FNTA (0.52) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7678087 0.85 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7682600 0.84 FNTA (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL4459587 0.84 FNTA (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7681229 0.82 FNTA (0.48) FNTAFNTBPGGT1BKCNH2
SCHEMBL8088337 0.81 FNTA (0.52) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8088331 0.81 FNTA (0.52) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8095394 0.80 FNTA (0.60) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7682279 0.78 FNTA (0.49) FNTAFNTB
SCHEMBL8097894 0.77 FNTA (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432959-B1 ANTITUMOR AGENTS SCHERING CORPORATION 2002-08-13 US disclosed