SCHEMBL2531612

SCHEMBL2531612

CCC1CCC(Oc2nc(C(F)(F)F)ccc2NC)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.49
MBOAT4 Q96T53 1/20 0.38
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CDK2 P24941 1/20 0.33
KDR P35968 1/20 0.33
IDH1 O75874 1/20 0.33
IDH2 P48735 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 SCHEMBL5468763 0.93 TRPV1 (0.51) TRPV1MBOAT4MKNK1MKNK2
SCHEMBL27976092 0.85 TRPV1 (0.44) TRPV1MBOAT4CDK2KDR
SCHEMBL2531620 0.84 TRPV1 (0.48) TRPV1MBOAT4MKNK1MKNK2CDK2
SCHEMBL2531610 0.80 TRPV1 (0.49) TRPV1MBOAT4
Acetonitrile SCHEMBL27975755 0.80 TRPV1 (0.41) TRPV1MBOAT4CDK2KDR
SCHEMBL2529157 0.79 TRPV1 (0.42) TRPV1MBOAT4
Acetic Acid SCHEMBL5472294 0.78 TRPV1 (0.50) TRPV1MKNK1MKNK2
SCHEMBL2525513 0.77 MBOAT4 (0.43) TRPV1MBOAT4
Acetic Acid SCHEMBL5468766 0.75 TRPV1 (0.51) TRPV1MBOAT4
SCHEMBL2526697 0.74 TRPV1 (0.47) TRPV1CDK2

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