SCHEMBL2525513

SCHEMBL2525513

CCOc1nc(C(F)(F)F)ccc1NC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 2/20 0.43
TRPV1 Q8NER1 9/20 0.41
GRM5 P41594 1/20 0.40
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CDK1 P06493 1/20 0.34
PTGS2 P35354 1/20 0.34
SYK P43405 2/20 0.33
MAT2A P31153 1/20 0.33

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
Acetic Acid SCHEMBL5467040 0.92 TRPV1 (0.44) MBOAT4TRPV1GRM5KCNQ3KCNQ2
SCHEMBL27976093 0.86 TRPV1 (0.44) TRPV1PTGS2
Acetonitrile SCHEMBL27976111 0.81 TRPV1 (0.41) TRPV1PTGS2
Hydrochloric Acid SCHEMBL28391819 0.79 MEN1 (0.37) TRPV1
SCHEMBL2526697 0.79 TRPV1 (0.47) TRPV1CDK1PTGS2
SCHEMBL27885274 0.77 TRPV1 (0.42) TRPV1CDK1PTGS2MAT2A
SCHEMBL6806025 0.77 MBOAT4 (0.42) MBOAT4TRPV1GRM5IRAK4CDK1
SCHEMBL2531612 0.77 TRPV1 (0.49) MBOAT4TRPV1
SCHEMBL2531620 0.75 TRPV1 (0.48) MBOAT4TRPV1
SCHEMBL2525510 0.74 MBOAT4 (0.51) MBOAT4TRPV1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940821-B1 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-03-20 EP disclosed
EP-2388258-A1 Novel vanilloid receptor ligands and their use for producing medicaments Grünenthal GmbH (DE) 2011-11-23 EP disclosed
US-8038010-B1 Single piece edge protector for curved objects ILLINOIS TOOL WORKS INC. (US) 2011-10-18 US disclosed
EP-1940821-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-07-09 EP disclosed
WO-2007045462-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2007-04-26 WO disclosed