SCHEMBL5548653

SCHEMBL5548653

CCn1cc2c(N(C(N)=O)C3CC(C)(C)Oc4cc(F)ccc43)cccc2n1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.40
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.37
CFTR P13569 1/20 0.36

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
SCHEMBL27742035 0.83 TRPV1 (0.47) TRPV1CYP3A4CYP2D6CFTR
SCHEMBL3321990 0.78 TRPV1 (0.49) TRPV1CYP3A4CYP2D6CFTR
SCHEMBL1985673 0.77 TRPV1 (0.65) TRPV1CYP3A4CYP2D6
SCHEMBL27762597 0.77 TRPV1 (0.46) TRPV1CYP3A4CYP2D6CFTR
SCHEMBL5551974 0.70 TRPV1 (0.46) TRPV1CYP3A4CYP2D6
SCHEMBL3323722 0.69 TRPV1 (0.54) TRPV1CYP3A4CYP2D6
SCHEMBL3322856 0.68 TRPV1 (0.51) TRPV1CYP3A4CYP2D6
SCHEMBL3322270 0.67 TRPV1 (0.54) TRPV1CYP3A4CFTR
SCHEMBL4140742 0.67 TRPV1 (0.49) TRPV1CYP3A4CFTR
SCHEMBL4137513 0.67 TRPV1 (0.49) TRPV1CYP3A4CFTR

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
CN-102161653-A Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (vr1) receptor and uses thereof ABBOTT LAB 2011-08-24 CN claimed
CN-101443327-A Chromanylurea compounds that inhibit vanilloid receptor subtype 1(VR1) receptor and uses thereof ABBOTT LAB (US) 2009-05-27 CN claimed
EP-1844038-A2 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2007-10-17 EP claimed
WO-2006065484-A2 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-22 WO claimed
CN-102161653-A Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (vr1) receptor and uses thereof ABBOTT LAB 2011-08-24 CN disclosed