SCHEMBL7259654

SCHEMBL7259654

CCCCCNC(=O)c1ccc(-c2ccc(N(Cc3cncn3Cc3ccc(C#N)cc3)C(=O)c3ccc(F)cc3)cc2)o1.N#Cc1ccc(Cn2cncc2CN(C(=O)c2ccc(F)cc2)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
FNTA P49354 5/20 0.40
FNTB P49356 5/20 0.40
KCNH2 Q12809 1/20 0.38

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
SCHEMBL7255988 0.90 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7255227 0.90 CYP11B1 (0.48) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7255218 0.85 CYP11B1 (0.48) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7258715 0.83 CYP11B1 (0.43) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7255356 0.83 FNTA (0.49) FNTAFNTB
SCHEMBL7258754 0.80 FNTA (0.48) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7255069 0.80 CYP11B1 (0.49) CYP11B1CYP11B2FNTAFNTBKCNH2
SCHEMBL7259737 0.79 FNTA (0.51) CYP11B1CYP11B2FNTAFNTB
SCHEMBL6602232 0.78 FNTA (0.41) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7258763 0.78 FNTA (0.43) 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 claimed