SCHEMBL2364052

SCHEMBL2364052

CC1(C)C[C@@H](N(C(N)=O)c2cccc3c2C[C@H](O)CC3)c2cccc(F)c2O1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.44
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
HTR1A P08908 2/20 0.30
HTR7 P34969 2/20 0.30

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
SCHEMBL3327903 0.89 TRPV1 (0.38) TRPV1
SCHEMBL3322270 0.84 TRPV1 (0.54) TRPV1
SCHEMBL4140742 0.77 TRPV1 (0.49) TRPV1
SCHEMBL4137513 0.77 TRPV1 (0.49) TRPV1
SCHEMBL4125522 0.76 TRPV1 (0.45) TRPV1
SCHEMBL3319450 0.73 TRPV1 (0.75) TRPV1
SCHEMBL2317444 0.73 TRPV1 (0.75) TRPV1
SCHEMBL4133142 0.73 TRPV1 (0.41) TRPV1
SCHEMBL3766306 0.73 TRPV1 (0.41) TRPV1
SCHEMBL14421632 0.69 TRPV1 (0.43) 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-2352727-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP disclosed
WO-2010045402-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 WO disclosed