SCHEMBL7260955

SCHEMBL7260955

COC(=O)c1ccc(-c2ccc(N(Cc3cncn3Cc3ccc(C#N)cc3)C(=O)C3CCCCC3)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
FNTA P49354 5/20 0.45
FNTB P49356 5/20 0.45
NR1H4 Q96RI1 2/20 0.43

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
SCHEMBL7255984 0.93 FNTA (0.49) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7260654 0.91 FNTA (0.44) CYP11B1CYP11B2FNTAFNTBNR1H4
SCHEMBL7260985 0.90 FNTA (0.44) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7256041 0.86 CYP11B1 (0.47) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7255303 0.85 FNTA (0.49) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7255241 0.85 FNTA (0.43) FNTAFNTB
SCHEMBL7255239 0.85 FNTA (0.42) FNTAFNTB
SCHEMBL7255949 0.85 FNTA (0.51) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7255248 0.84 FNTA (0.42) FNTAFNTB
SCHEMBL7259730 0.82 FNTA (0.46) CYP11B1CYP11B2FNTAFNTB

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