SCHEMBL4565803

SCHEMBL4565803

O=C(Nc1cccc2c1CC(O)C2)NC1CC2(CCOCC2)Oc2cc(F)ccc21

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.64

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
SCHEMBL4565894 0.89 TRPV1 (0.54) TRPV1
SCHEMBL15021714 0.88 TRPV1 (0.64) TRPV1
SCHEMBL15021413 0.88 TRPV1 (0.64) TRPV1
SCHEMBL15022298 0.88 TRPV1 (0.64) TRPV1
SCHEMBL15021626 0.88 TRPV1 (0.64) TRPV1
SCHEMBL15021214 0.85 TRPV1 (0.85) TRPV1
SCHEMBL15021189 0.85 TRPV1 (0.85) TRPV1
SCHEMBL15022294 0.84 TRPV1 (0.66) TRPV1
SCHEMBL15021541 0.83 TRPV1 (0.67) TRPV1
SCHEMBL15021692 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