SCHEMBL5015672

SCHEMBL5015672

CC(C)(C)c1ccc(NC(=O)ON2CCCC3(CC2)CC(c2ccccc2)=NO3)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
F2 P00734 3/20 0.38
F10 P00742 3/20 0.38
PRSS1 P07477 3/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5015827 0.96 FAAH (0.43) FAAHCHRNB4CHRNA3F2F10
SCHEMBL5012848 0.95 FAAH (0.42) FAAHF2F10PRSS1KMT2A
SCHEMBL5014531 0.93 FAAH (0.41) FAAHF2F10PRSS1KMT2A
SCHEMBL5012817 0.92 FAAH (0.39) FAAHKMT2AMAPTTRPV1
SCHEMBL5012887 0.90 FAAH (0.44) FAAHKMT2AKDM4E
SCHEMBL5012959 0.88 KMT2A (0.39) FAAHKMT2AMAPTTRPV1
SCHEMBL5014386 0.88 KMT2A (0.39) FAAHKMT2AMAPTTRPV1
SCHEMBL5015689 0.87 KMT2A (0.43) FAAHKMT2AMAPTXBP1NPSR1
SCHEMBL5012693 0.87 FAAH (0.36) FAAHKMT2AMAPTTRPV1
SCHEMBL5014417 0.87 TRPV1 (0.41) FAAHF2F10PRSS1MAPT

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