SCHEMBL7255137

SCHEMBL7255137

CC(C)CNC(=O)c1ccc(-c2ccc(NCC3CCCC(Cc4cncn4Cc4ccc(C#N)cc4)C3)cc2)o1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.47
FNTB P49356 10/20 0.47
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
PGGT1B P53609 4/20 0.38
KCNH2 Q12809 2/20 0.37

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
SCHEMBL7256172 0.78 CYP11B1 (0.43) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7260729 0.78 FNTA (0.46) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7255179 0.73 FNTA (0.57) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7259741 0.73 FNTA (0.61) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7259778 0.72 FNTA (0.59) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7258763 0.71 FNTA (0.43) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7255370 0.70 FNTA (0.44) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7260759 0.70 FNTA (0.45) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7255374 0.70 FNTA (0.45) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7255389 0.70 FNTA (0.48) 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 claimed