SCHEMBL7260742

SCHEMBL7260742

CCCCN(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc(-c2ccc(C(=O)NC(CCSC)C(=O)OC)o2)cc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.66
FNTB P49356 15/20 0.66
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
KCNH2 Q12809 1/20 0.39

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
SCHEMBL7254914 0.96 FNTA (0.62) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7259636 0.94 FNTA (0.64) FNTAFNTBCYP11B1CYP11B2KCNH2
SCHEMBL7260733 0.94 FNTA (0.62) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7260812 0.88 FNTA (0.57) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7255473 0.87 FNTA (0.54) FNTAFNTBKCNH2
SCHEMBL7255471 0.85 FNTA (0.56) FNTAFNTBKCNH2
SCHEMBL7260790 0.84 FNTA (0.59) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7255031 0.84 FNTA (0.65) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7256056 0.82 FNTA (0.63) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7258745 0.82 FNTA (0.57) FNTAFNTBCYP11B1CYP11B2

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