SCHEMBL7255273

SCHEMBL7255273

O=C(O)c1ccc(-c2ccc(NCc3cnc[nH]3)cc2)o1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
FNTA P49354 3/20 0.49
FNTB P49356 3/20 0.49
PGGT1B P53609 3/20 0.49
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HRH3 Q9Y5N1 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
SCHEMBL7258579 0.80 FNTA (0.55) FNTAFNTBPGGT1BALDH1A1
SCHEMBL4901454 0.71 TAAR1 (1.00) TAAR1HRH3
SCHEMBL1772679 0.71 ALDH1A1 (0.84) ALDH1A1HPGD
SCHEMBL14189389 0.69 TAAR1 (0.87) TAAR1FNTAFNTBPGGT1BHRH3
SCHEMBL8211595 0.69 TAAR1 (0.70) TAAR1HRH3
SCHEMBL3674460 0.68 TAAR1 (0.55) TAAR1FNTAFNTBPGGT1BALDH1A1
SCHEMBL5735008 0.67 ALDH1A1 (0.65) ALDH1A1HPGD
SCHEMBL3896317 0.67 ALDH1A1 (0.60) ALDH1A1HPGD
SCHEMBL11457930 0.67 MEN1 (0.61) ALDH1A1HPGD
SCHEMBL7260743 0.66 ALDH1A1 (0.57) ALDH1A1

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