SCHEMBL4619905

SCHEMBL4619905

CC(C)(C)C1CCC2(CC1)CC(OC(=O)Nc1cc(NS(C)(=O)=O)ccc1F)=NO2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.34
NPY2R P49146 1/20 0.33
EPHX2 P34913 1/20 0.33
TRPV1 Q8NER1 4/20 0.32
MAPK14 Q16539 1/20 0.32
RORC P51449 5/20 0.31
RAF1 P04049 2/20 0.31
BRAF P15056 2/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL4620657 0.88 TRPV1 (0.40) GPR119TRPV1
SCHEMBL4619379 0.86 GPR119 (0.34) GPR119ATM
SCHEMBL2208053 0.85 GPR119 (0.46) GPR119EPHX2TRPV1MAPK14ADRA2C
SCHEMBL4619951 0.81 EPHX2 (0.41) EPHX2TRPV1
SCHEMBL4620004 0.81 EPHX2 (0.41) EPHX2TRPV1
SCHEMBL2204894 0.80 GPR119 (0.42) GPR119TRPV1
SCHEMBL4619894 0.77 FAAH (0.39) EPHX2ATM
SCHEMBL2209037 0.77 GPR119 (0.43) GPR119EPHX2TRPV1MAPK14
SCHEMBL4641240 0.75 TRPV1 (0.36) TRPV1ATM
SCHEMBL2206230 0.75 GPR119 (0.44) GPR119TRPV1

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