SCHEMBL2526697

SCHEMBL2526697

CNc1ccc(C(F)(F)F)nc1OCC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.47
PTGS2 P35354 3/20 0.45
PTGS1 P23219 1/20 0.45
CCNB2 O95067 2/20 0.44
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CCNA1 P78396 2/20 0.44
CCNB3 Q8WWL7 2/20 0.44
CNR2 P34972 4/20 0.38

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 SCHEMBL5460638 0.93 TRPV1 (0.49) TRPV1PTGS2PTGS1CCNB2CDK1
SCHEMBL27976092 0.80 TRPV1 (0.44) TRPV1PTGS1CDK1CDK2
SCHEMBL12167678 0.80 CNR2 (0.46) TRPV1PTGS2PTGS1CNR2
SCHEMBL25511041 0.79 TRPV1 (0.45) TRPV1PTGS2PTGS1CCNB2CDK1
SCHEMBL2525513 0.79 MBOAT4 (0.43) TRPV1PTGS2CDK1
SCHEMBL2526695 0.77 TRPV1 (0.47) TRPV1PTGS2PTGS1CCNB2CDK1
SCHEMBL2525496 0.77 SLC6A4 (0.44) TRPV1PTGS2PTGS1CCNA2CDK2
SCHEMBL2530058 0.76 PTGS2 (0.44) TRPV1PTGS2PTGS1CCNA2CDK2
SCHEMBL2529965 0.76 TRPV1 (0.47) TRPV1PTGS2PTGS1CCNB2CDK1
SCHEMBL25511040 0.76 TRPV1 (0.45) TRPV1PTGS2PTGS1CCNB2CDK1

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