SCHEMBL16175698

SCHEMBL16175698

O=C(Nc1ccc(C(F)(F)F)cc1)ON1CCC2(CC1)CC(c1ccc(Cl)cc1)=NO2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.43
STAT3 P40763 1/20 0.41
TRPM8 Q7Z2W7 5/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RHOC P08134 2/20 0.38
RHOA P61586 2/20 0.38
IDO1 P14902 3/20 0.38
TDO2 P48775 3/20 0.38
KDM4E B2RXH2 1/20 0.37
UTS2R Q9UKP6 1/20 0.37

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
SCHEMBL5015806 0.95 TRPM8 (0.40) EPHX2TRPM8
SCHEMBL16175678 0.92 KDM4E (0.40) MAPTNPSR1KDM4E
SCHEMBL5014416 0.92 TRPM8 (0.42) EPHX2TRPM8SMN1; SMN2
SCHEMBL5012816 0.91 FPR1 (0.40) EPHX2TRPM8
SCHEMBL5014417 0.91 TRPV1 (0.41) EPHX2TRPM8MAPTSMN1; SMN2
SCHEMBL5011264 0.91 TRPV1 (0.41) EPHX2TRPM8
SCHEMBL16175670 0.91 SMN1; SMN2 (0.41) MAPTSMN1; SMN2NPSR1KDM4EUTS2R
SCHEMBL5012223 0.91 TRPV1 (0.41) EPHX2TRPM8MAPTSMN1; SMN2
SCHEMBL5014559 0.91 SMN1; SMN2 (0.41) MAPTSMN1; SMN2NPSR1KDM4EUTS2R
SCHEMBL5014396 0.91 FAAH (0.41) EPHX2TRPM8

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