SCHEMBL7255248

SCHEMBL7255248

N#Cc1ccc(Cn2cncc2CN(C(=O)C2CCCCC2)c2ccc(-c3ccc(C(=O)O)s3)cc2)cc1.NCc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.42
FNTB P49356 8/20 0.42
KCNH2 Q12809 3/20 0.40
PGGT1B P53609 3/20 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
SCHEMBL7255239 0.92 FNTA (0.42) FNTAFNTBKCNH2PGGT1B
SCHEMBL7255984 0.91 FNTA (0.49) FNTAFNTBKCNH2PGGT1B
SCHEMBL7255241 0.89 FNTA (0.43) FNTAFNTBPGGT1B
SCHEMBL7260955 0.84 CYP11B1 (0.45) FNTAFNTB
SCHEMBL7260654 0.83 FNTA (0.44) FNTAFNTB
SCHEMBL7260985 0.82 FNTA (0.44) FNTAFNTB
SCHEMBL7256035 0.80 FNTA (0.51) FNTAFNTBPGGT1B
Picolamine SCHEMBL7260780 0.79 FNTA (0.45) FNTAFNTBKCNH2PGGT1B
SCHEMBL7255257 0.77 FNTA (0.46) FNTAFNTBKCNH2PGGT1B
Niacinamide SCHEMBL7260776 0.76 FNTA (0.46) FNTAFNTBKCNH2PGGT1B

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