SCHEMBL5015744

SCHEMBL5015744

O=C(Nc1cccc(Br)c1)ON1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.37
EPHX2 P34913 1/20 0.37
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
MTOR P42345 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
FAAH O00519 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL5011295 0.92 MAPT (0.44) MGLLKMT2AEPHX2GAAMAPT
SCHEMBL5012775 0.91 CA1 (0.41) CA1CA2L3MBTL1KMT2AMAPT
SCHEMBL16175512 0.90 MTOR (0.43) MGLLCA1CA2TRPM8L3MBTL1
SCHEMBL5012278 0.90 KMT2A (0.39) MGLLKMT2AEPHX2MAPT
SCHEMBL5012723 0.90 MAPT (0.44) MGLLCA1CA2TRPM8KMT2A
SCHEMBL5014396 0.89 FAAH (0.41) MGLLTRPM8EPHX2FAAHTRPV1
SCHEMBL16175713 0.89 CA1 (0.44) CA1CA2L3MBTL1KMT2AFAAH
SCHEMBL5015806 0.88 TRPM8 (0.40) TRPM8EPHX2FAAHTRPV1
SCHEMBL5012680 0.88 SMN1; SMN2 (0.44) KMT2AMAPT
SCHEMBL5011360 0.87 HCRTR1 (0.45) MGLLKMT2AEPHX2KCNJ6KCNJ3

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