SCHEMBL4565894

SCHEMBL4565894

O=C(Nc1cccc2c1CC(O)C2)NC1CC2(CCOCC2)Oc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.54

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
SCHEMBL15021221 0.92 TRPV1 (0.61) TRPV1
SCHEMBL15021768 0.92 TRPV1 (0.59) TRPV1
SCHEMBL4565369 0.91 TRPV1 (0.60) TRPV1
SCHEMBL4565803 0.89 TRPV1 (0.64) TRPV1
SCHEMBL15021683 0.84 TRPV1 (0.67) TRPV1
SCHEMBL15021184 0.84 TRPV1 (0.67) TRPV1
SCHEMBL15021424 0.82 TRPV1 (0.62) TRPV1
SCHEMBL15022421 0.82 TRPV1 (0.63) TRPV1
SCHEMBL15021554 0.82 TRPV1 (0.62) TRPV1
SCHEMBL4565399 0.82 TRPV1 (0.52) TRPV1

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-2012778-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF Abbott Laboratories (US) 2009-01-14 EP disclosed
WO-2007121299-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2007-10-25 WO disclosed