SCHEMBL14424316

SCHEMBL14424316

CC(C)[S+]([O-])Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.61
PTGS1 P23219 3/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
RORC P51449 1/20 0.56
TRPV4 Q9HBA0 3/20 0.55
MAPT P10636 2/20 0.51
XBP1 P17861 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KCNQ3 O43525 1/20 0.51
KCNQ2 O43526 1/20 0.51
KCNE1 P15382 1/20 0.51
KCNQ1 P51787 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
EPHX2 P34913 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
SCHEMBL14424663 0.85 GAA (0.47) TRPV1RAB9AMAPTXBP1NPSR1
SCHEMBL14424840 0.84 LSS (0.57) HDAC3HDAC8HDAC6EPHX2
SCHEMBL14424320 0.81 PTPN1 (0.59) TRPV1NPC1RAB9AMAPTNPSR1
SCHEMBL14424416 0.81 KDM4E (0.45) NPC1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL7513604 0.81 TRPV1 (0.83) TRPV1PTGS1NPC1RAB9ARORC
SCHEMBL14424661 0.80 RAB9A (0.41) TRPV1NPC1RAB9ATRPV4MAPT
SCHEMBL14424319 0.78 MAPT (0.50) NPC1RAB9AMAPTHDAC8HDAC6
SCHEMBL15948139 0.76 TRPV1 (0.76) TRPV1PTGS1NPC1RAB9ARORC
SCHEMBL8363736 0.76 NPC1 (0.76) TRPV1PTGS1NPC1RAB9ARORC
SCHEMBL13716566 0.76 MAPT (0.65) NPC1RAB9AMAPTNPSR1

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
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed