SCHEMBL21591711

SCHEMBL21591711

COc1cc(CCNC(=O)O)c(C(C)=O)cn1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.53
MTNR1B P49286 13/20 0.53
NNMT P40261 1/20 0.44
MAPT P10636 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
SCHEMBL30570606 0.84 MTNR1B (0.48) MTNR1AMTNR1BNNMTMAPT
SCHEMBL23854724 0.84 MTNR1B (0.48) MTNR1AMTNR1BNNMTMAPT
SCHEMBL21591699 0.82 MTNR1B (0.51) MTNR1AMTNR1BNNMT
SCHEMBL21591748 0.81 MTNR1B (0.50) MTNR1AMTNR1BNNMTMAPT
SCHEMBL21591735 0.75 MTNR1B (0.45) MTNR1AMTNR1BNNMT
SCHEMBL34467338 0.73 NNMT (0.72) NNMT
SCHEMBL23854699 0.71 MTNR1B (0.41) MTNR1AMTNR1BNNMTMAPT
SCHEMBL4315975 0.70 RECQL (0.43) MTNR1AMTNR1BNNMTMAPT
SCHEMBL25306841 0.70 NNMT (0.50) MTNR1AMTNR1BNNMTMAPT
SCHEMBL8232977 0.70 NNMT (0.46) MTNR1AMTNR1BNNMTMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
EP-3807270-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO disclosed