SCHEMBL15415852

SCHEMBL15415852

[CH2]CN1CCC(O)C1.[CH2]CN1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
USP2 O75604 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 3/20 0.33
ALOX15 P16050 2/20 0.32
TSHR P16473 2/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
CYP2C9 P11712 1/20 0.31
KEAP1 Q14145 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL1406575 0.86
SCHEMBL11894023 0.86
SCHEMBL11894115 0.86
SCHEMBL1867738 0.81 HRH3 (0.38) HRH3USP2KDM4EALDH1A1HSD17B10
SCHEMBL425941 0.77
SCHEMBL4754 0.77
SCHEMBL27483115 0.75
SCHEMBL771857 0.74
SCHEMBL28960037 0.73 PDCD1 (0.44) HRH3ALDH1A1
SCHEMBL17996882 0.71 HRH3 (0.38) HRH3USP2KDM4EALDH1A1GLA

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-2872502-A1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2015-05-20 EP claimed
WO-2014009302-A1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 WO claimed
EP-2872502-A1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2015-05-20 EP disclosed
WO-2014009302-A1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 WO disclosed