SCHEMBL5697474

SCHEMBL5697474

CC(C)(C)c1ccc(NC(=O)c2ccc(-n3nccc3S(=O)(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.54
LIPC P11150 1/20 0.54
LIPE Q05469 1/20 0.54
TRPV1 Q8NER1 9/20 0.53
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NAMPT P43490 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL3874906 0.82 KDM4E (0.61) LPLLIPCLIPETRPV1MAPT
SCHEMBL3875037 0.73 KDM4E (0.65) TRPV1MEN1KMT2ANPC1RAB9A
SCHEMBL7303163 0.72 HDAC3 (0.86) TRPV1MAPTLMNAMEN1CA1
SCHEMBL3871686 0.71 GCGR (0.59) TRPV1MAPTLMNAMEN1KMT2A
SCHEMBL7047919 0.70 LPL (1.00) LPLLIPCLIPETRPV1MAPT
SCHEMBL1687872 0.70 TRPV1 (0.73) TRPV1MEN1CA1CA2KMT2A
SCHEMBL1687868 0.68 TRPV1 (0.76) TRPV1MAPTMEN1CA1CA2
SCHEMBL13483900 0.68 GAA (0.76) TRPV1LMNAHDAC3HDAC11HDAC8
SCHEMBL21652312 0.68 TRPV1 (0.76) TRPV1MAPTMEN1CA1CA2
SCHEMBL7301130 0.68 TRPV1 (0.76) TRPV1MAPTMEN1CA1CA2

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-1673342-A2 AMIDES THAT INHIBIT VANILLOID RECEPROT SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-06-28 EP claimed
WO-2005040121-A2 AMIDES THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-05-06 WO claimed