SCHEMBL16175697

SCHEMBL16175697

O=C(Nc1ccccc1Cl)ON1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.39
CHRM3 P20309 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
EPHX2 P34913 1/20 0.38
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
KDR P35968 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
TRPA1 O75762 1/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL16175602 0.91 ATM (0.43) CHRM3KMT2AMEN1GAAATM
SCHEMBL5012966 0.91 POLB (0.42) KMT2AMEN1GAAL3MBTL1
SCHEMBL5012843 0.90 CHRM3 (0.39) CHRM3KMT2AMEN1TRPV1KCNJ6
SCHEMBL5012846 0.90 CHRM3 (0.39) TRPM8CHRM3KMT2AEPHX2TRPV1
SCHEMBL16175727 0.90 KMT2A (0.41) CHRM3KMT2AMEN1GAAATM
SCHEMBL16175673 0.90 KMT2A (0.45) KMT2AMEN1GAAATML3MBTL1
SCHEMBL5014461 0.90 ALDH1A1 (0.42) KMT2AMEN1TRPV1L3MBTL1
SCHEMBL5012231 0.89 TRPM8 (0.39) TRPM8CHRM3KMT2ATRPV1KCNJ6
SCHEMBL5012976 0.89 KMT2A (0.41) CHRM3KMT2AMEN1EPHX2GAA
SCHEMBL16175752 0.88 KMT2A (0.42) KMT2AMEN1EPHX2GAAATM

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-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed