SCHEMBL4620563

SCHEMBL4620563

CS(=O)(=O)Nc1ccc(CNC(=O)OC2CCC3(CC2)CC(c2ccccc2)=NO3)cc1F

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.49

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
SCHEMBL4620441 1.00 TRPV1 (0.49) TRPV1
SCHEMBL2206627 0.88 TRPV1 (0.51) TRPV1
SCHEMBL2205640 0.88 TRPV1 (0.51) TRPV1
SCHEMBL2209207 0.88 TRPV1 (0.51) TRPV1
SCHEMBL2207841 0.80 TSHR (0.47) TRPV1
SCHEMBL4621118 0.76 TRPV1 (0.46) TRPV1
SCHEMBL2208382 0.74 TRPV1 (0.47) TRPV1
SCHEMBL2207528 0.74 TRPV1 (0.47) TRPV1
SCHEMBL2207527 0.74 TRPV1 (0.47) TRPV1
SCHEMBL16175745 0.73 TRPV1 (0.53) 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-1888542-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006136245-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2006-12-28 WO disclosed