SCHEMBL5281260

SCHEMBL5281260

CS(=O)(=O)Nc1ccc(CNC(=O)COc2ccc3c(c2)CCC3)cc1F

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
HPGD P15428 1/20 0.64
ALOX12 P18054 1/20 0.64
HTT P42858 1/20 0.58
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
TRPV1 Q8NER1 1/20 0.49

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
SCHEMBL4640618 0.88 HPGD (0.50) SMN1; SMN2HPGDALOX12HTTTRPV1
SCHEMBL5274662 0.87
SCHEMBL4640525 0.86 TRPV1 (0.47) SMN1; SMN2HPGDALOX12TRPV1
SCHEMBL14384563 0.85 HPGD (0.56) SMN1; SMN2HPGDALOX12HTTMEN1
SCHEMBL5276305 0.84 GRIN1 (0.52)
SCHEMBL5276761 0.84 GRIN1 (0.59)
SCHEMBL5279144 0.84
SCHEMBL5278547 0.84 TRPV1 (0.52) TRPV1
SCHEMBL5274996 0.84 TAOK1 (0.53)
SCHEMBL5325377 0.83

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1857440-A1 Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same Amorepacific Corporation (KR) 2007-11-21 EP disclosed
EP-1857440-A1 Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same Amorepacific Corporation (KR) 2007-11-21 EP disclosed
WO-2007120012-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2007-10-25 WO disclosed
WO-2007120012-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2007-10-25 WO disclosed