SCHEMBL1660048

SCHEMBL1660048

CS(=O)(=O)Nc1c(F)cc(CCNC(=O)c2coc(Oc3cccc4c3CCC4C(F)(F)F)n2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.33
TP53 P04637 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PDE4B Q07343 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
HTR5A P47898 1/20 0.31
ADRA1B P35368 1/20 0.31
POLB P06746 1/20 0.31
SLC8A1 P32418 1/20 0.31
SCN9A Q15858 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1660143 0.89 LMNA (0.33) TRPV1TP53POLBSLC8A1SCN9A
SCHEMBL12603603 0.85 PDE2A (0.35) TRPV1
SCHEMBL1989552 0.85 PDE2A (0.35) TRPV1
SCHEMBL1660628 0.79 CES2 (0.40) TP53POLBLMNASMN1; SMN2
SCHEMBL1660390 0.79 KLKB1 (0.38) TRPV1POLBSLC8A1SCN9A
SCHEMBL1661096 0.77 KLKB1 (0.37) TRPV1POLBSLC8A1SCN9A
SCHEMBL1659442 0.77 KLKB1 (0.37) TRPV1POLBSLC8A1SCN9A
SCHEMBL12521320 0.77 TRPV1 (0.32) TRPV1
SCHEMBL1659509 0.77 KLKB1 (0.39) POLB
SCHEMBL1659194 0.77 KLKB1 (0.40) TP53POLBSCN9ASMN1; SMN2

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
EP-2307394-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2011-04-13 EP disclosed