SCHEMBL7256172

SCHEMBL7256172

CC(C)CNC(=O)c1ccc(-c2ccc(N(Cc3cncn3Cc3ccc(C#N)cc3)C(=O)C3CCCCC3)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
FNTA P49354 9/20 0.42
FNTB P49356 9/20 0.42
MAPKAPK2 P49137 1/20 0.39
PGGT1B P53609 2/20 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
SCHEMBL7256041 0.89 CYP11B1 (0.47) CYP11B1CYP11B2FNTAFNTBMAPKAPK2
SCHEMBL7255257 0.88 FNTA (0.46) CYP11B1CYP11B2FNTAFNTBMAPKAPK2
SCHEMBL7258763 0.82 FNTA (0.43) CYP11B1CYP11B2FNTAFNTBMAPKAPK2
SCHEMBL6649966 0.80 FNTA (0.44) FNTAFNTBPGGT1B
SCHEMBL7260985 0.79 FNTA (0.44) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7260955 0.78 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7255137 0.78 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7255471 0.78 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL7260673 0.78 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL7260759 0.77 FNTA (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B

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 2 patents. 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
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