SCHEMBL7255303

SCHEMBL7255303

CCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc(-c2ccc(C(=O)OC)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.49
FNTB P49356 8/20 0.49
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
PGGT1B P53609 2/20 0.44

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
SCHEMBL7255128 0.93 FNTA (0.50) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7255949 0.87 FNTA (0.51) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7260955 0.85 CYP11B1 (0.45) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7254956 0.85 CYP11B1 (0.51) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7259730 0.84 FNTA (0.46) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7255008 0.81 FNTA (0.61) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7255069 0.80 CYP11B1 (0.49) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7256035 0.80 FNTA (0.51) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7255282 0.78 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL7255984 0.77 FNTA (0.49) FNTAFNTBCYP11B1CYP11B2PGGT1B

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
WO-2003099812-A1 PHENYL-FURAN OR PHENYL-THIOPHENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 2003-12-04 WO disclosed