SCHEMBL21800337

SCHEMBL21800337

CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.59
TMEM97 Q5BJF2 13/20 0.52
SIGMAR1 Q99720 13/20 0.52
HRH1 P35367 5/20 0.52
HRH3 Q9Y5N1 5/20 0.52
HRH2 P25021 4/20 0.52
HTR1A P08908 2/20 0.52
ADRA2C P18825 2/20 0.52
ADRA2A P08913 2/20 0.52
ADRA2B P18089 2/20 0.52
HTR2C P28335 2/20 0.52
HTR1E P28566 2/20 0.52
DRD1 P21728 1/20 0.52
HTR1B P28222 1/20 0.52
HTR2A P28223 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR2B P41595 1/20 0.52
LNPEP Q9UIQ6 1/20 0.49
PRMT5 O14744 2/20 0.48
WDR77 Q9BQA1 2/20 0.48

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
SCHEMBL23783113 0.95 NAMPT (0.58) NAMPTTMEM97SIGMAR1HRH1HRH3
SCHEMBL5455714 0.92 NAMPT (0.53) NAMPTTMEM97SIGMAR1HRH1HRH3
SCHEMBL34461170 0.86 NAMPT (0.48) NAMPTTMEM97SIGMAR1LNPEPPRMT5
SCHEMBL30366420 0.83 NAMPT (0.52) NAMPTTMEM97SIGMAR1HRH1HRH3
SCHEMBL21800336 0.83 NAMPT (0.49) NAMPTLNPEPPRMT5WDR77GRM5
SCHEMBL25201639 0.82 NAMPT (0.50) NAMPTTMEM97SIGMAR1LNPEPGRM5
SCHEMBL30582259 0.81 LNPEP (0.48) NAMPTTMEM97SIGMAR1LNPEPPRMT5
SCHEMBL31476781 0.80 LNPEP (0.50) NAMPTLNPEPPRMT5GRM5GRM1
SCHEMBL8195218 0.80 NAMPT (0.57) NAMPTPRMT5GRM5GRM1PDK4
SCHEMBL5473100 0.80 NAMPT (0.65) NAMPTGRM5GRM1PDK4

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-3623369-B1 NOVEL MORPHOLINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 EP disclosed
EP-3623369-A1 NOVEL MORPHOLINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2020-03-18 EP disclosed