SCHEMBL4437518

SCHEMBL4437518

CS(=O)(=O)Nc1c(F)cc(CCNC(=O)C=Cc2ccc(C(F)(F)F)nc2CCc2ccccc2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.50
MMP1 P03956 4/20 0.42
MMP2 P08253 4/20 0.42
MMP9 P14780 4/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
ALOX5 P09917 1/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ARG1 P05089 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NLRP3 Q96P20 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL13018185 0.93 TRPV1 (0.51) TRPV1MEN1KMT2A
SCHEMBL3783817 0.93 TRPV1 (0.51) TRPV1MEN1KMT2A
SCHEMBL3783820 0.93 TRPV1 (0.51) TRPV1MEN1KMT2A
SCHEMBL4442062 0.91 TRPV1 (0.57) TRPV1
SCHEMBL4434441 0.89 TRPV1 (0.46) TRPV1
SCHEMBL3782204 0.89 TRPV1 (0.49) TRPV1
SCHEMBL13018143 0.89 TRPV1 (0.49) TRPV1
SCHEMBL3782202 0.89 TRPV1 (0.49) TRPV1
SCHEMBL3778091 0.88 TRPV1 (0.48) TRPV1
SCHEMBL3778096 0.88 TRPV1 (0.48) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054411-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2009-05-06 EP disclosed
WO-2008013414-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-01-31 WO disclosed