SCHEMBL5015666

SCHEMBL5015666

CS(=O)(=O)Nc1ccc(C2=NOC3(CCNCC3)C2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.44
KIT P10721 2/20 0.39
F2 P00734 2/20 0.36
F10 P00742 2/20 0.36
PRSS1 P07477 2/20 0.36
GLO1 Q04760 1/20 0.35
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
PGR P06401 1/20 0.33
MAPT P10636 1/20 0.33

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
Hydrochloric Acid SCHEMBL5125573 0.99 TRPV1 (0.43) TRPV1KITF2F10PRSS1
Hydrochloric Acid SCHEMBL5129967 0.99 TRPV1 (0.43) TRPV1KITF2F10PRSS1
SCHEMBL16175745 0.75 TRPV1 (0.53) TRPV1
SCHEMBL5065839 0.74 TRPV1 (0.51) TRPV1
SCHEMBL5065842 0.74 TRPV1 (0.51) TRPV1
SCHEMBL5014394 0.72 TRPV1 (0.64) TRPV1
SCHEMBL30700119 0.72 TRPV1 (0.37) TRPV1KITGLO1
SCHEMBL5012886 0.72 FASN (0.46) TRPV1
SCHEMBL5139252 0.71 TRPV1 (0.45) TRPV1
SCHEMBL5014446 0.71 TRPV1 (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO disclosed