SCHEMBL8097922

SCHEMBL8097922

CC(c1ccccc1)N1CCC[C@H](C(=O)NCCc2cncn2Cc2ccc(C#N)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 17/20 0.51
FNTB P49356 17/20 0.51
PGGT1B P53609 14/20 0.51
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
GPBAR1 Q8TDU6 1/20 0.45
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
SCHEMBL8444169 1.00 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8427986 0.92 FNTA (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8098229 0.92 FNTA (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8432735 0.89 FNTA (0.50) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8089024 0.89 FNTA (0.50) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8097935 0.88 FNTA (0.52) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL446562 0.87 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8095922 0.86 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8444500 0.86 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8436851 0.86 FNTA (0.50) 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-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed