SCHEMBL1660143

SCHEMBL1660143

CCC1CCc2c(Oc3nc(C(=O)NCCc4cc(F)c(NS(C)(=O)=O)c(F)c4)co3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPV1 Q8NER1 5/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.31
SLC8A1 P32418 1/20 0.31
SCN9A Q15858 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KLKB1 P03952 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL1660048 0.89 TRPV1 (0.33) LMNASMN1; SMN2TRPV1TP53POLB
SCHEMBL1987794 0.86 PDE2A (0.35) TRPV1
SCHEMBL12604073 0.86 PDE2A (0.35) TRPV1
SCHEMBL1660628 0.80 CES2 (0.40) LMNASMN1; SMN2TP53POLBALDH1A1
SCHEMBL1660390 0.79 KLKB1 (0.38) TRPV1POLBSLC8A1SCN9AKLKB1
SCHEMBL1659330 0.79 POLB (0.40) SMN1; SMN2POLBSCN9AKLKB1
SCHEMBL1659442 0.78 KLKB1 (0.37) TRPV1POLBSLC8A1SCN9AKLKB1
SCHEMBL1661096 0.78 KLKB1 (0.37) TRPV1POLBSLC8A1SCN9AKLKB1
SCHEMBL12521337 0.78 TRPV1 (0.31) TRPV1
SCHEMBL1659194 0.77 KLKB1 (0.40) SMN1; SMN2TP53POLBSCN9AALDH1A1

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