SCHEMBL5012843

SCHEMBL5012843

O=C(Nc1ccccc1C(F)(F)F)ON1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
CYP2C9 P11712 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
LMNA P02545 2/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 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
SCHEMBL5014371 0.94 CHRM3 (0.38) CHRM3KMT2AMEN1POLBTSHR
SCHEMBL5012868 0.94 KMT2A (0.40) KMT2AMEN1CTDSP1POLBTSHR
SCHEMBL16175711 0.92 ALDH1A1 (0.40) KMT2AMEN1CTDSP1POLB
SCHEMBL5012917 0.92 KMT2A (0.42) KMT2AMEN1POLBTSHRF2
SCHEMBL5012846 0.91 CHRM3 (0.39) CHRM3KMT2ATRPV1
SCHEMBL5014467 0.90 CHRM3 (0.41) CHRM3KMT2ATRPV1
SCHEMBL5012976 0.90 KMT2A (0.41) CHRM3KMT2AMEN1TRPV1
SCHEMBL5012231 0.90 TRPM8 (0.39) CHRM3KMT2ATRPV1KCNJ6KCNJ5
SCHEMBL16175697 0.90 TRPM8 (0.39) CHRM3KMT2AMEN1TRPV1KCNJ6
SCHEMBL5012853 0.89 CCR3 (0.41) CHRM3KMT2APOLBTSHRLMNA

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