SCHEMBL4620004

SCHEMBL4620004

CC(C)(C)[C@H]1CC[C@]2(CC1)CC(OC(=O)NCc1ccc(NS(C)(=O)=O)cc1)=NO2

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL4619951 1.00 EPHX2 (0.41) EPHX2NR1H4TRPV1
SCHEMBL4620794 0.85 CYP19A1 (0.42) NR1H4
SCHEMBL2204827 0.84 EPHX2 (0.48) EPHX2NR1H4TRPV1
SCHEMBL2208558 0.84 EPHX2 (0.48) EPHX2NR1H4TRPV1
SCHEMBL2205140 0.84 EPHX2 (0.48) EPHX2NR1H4TRPV1
SCHEMBL4619905 0.81 GPR119 (0.34) EPHX2TRPV1
SCHEMBL4673169 0.80 EPHX2 (0.44) EPHX2NR1H4TRPV1
SCHEMBL4620657 0.79 TRPV1 (0.40) TRPV1
SCHEMBL4619894 0.76 FAAH (0.39) EPHX2
SCHEMBL4621118 0.75 TRPV1 (0.46) 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 4 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 claimed
WO-2006136245-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2006-12-28 WO claimed
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