SCHEMBL21591748

SCHEMBL21591748

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.50
MTNR1A P48039 12/20 0.50
NNMT P40261 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PABPC1 P11940 1/20 0.36
GCK P35557 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 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
SCHEMBL21591747 0.84 MTNR1B (0.46) MTNR1BMTNR1AMAPT
SCHEMBL21591699 0.82 MTNR1B (0.51) MTNR1BMTNR1ANNMTMEN1KMT2A
SCHEMBL21591711 0.81 MTNR1A (0.53) MTNR1BMTNR1ANNMTMAPT
SCHEMBL6028212 0.78 KMT2A (0.41) MTNR1BMTNR1ANNMTMEN1KMT2A
SCHEMBL21591735 0.75 MTNR1B (0.45) MTNR1BMTNR1ANNMT
SCHEMBL21327224 0.73 NNMT (0.50) MTNR1BMTNR1ANNMTMEN1KMT2A
SCHEMBL4315975 0.70 RECQL (0.43) MTNR1BMTNR1ANNMTMEN1KMT2A
SCHEMBL2497902 0.70 MTNR1A (0.37) MTNR1BMTNR1ANNMTMEN1KMT2A
SCHEMBL22123758 0.70 NNMT (0.36) MTNR1BMTNR1ANNMTMEN1KMT2A
SCHEMBL21327577 0.68 KMT2A (0.40) MTNR1BMTNR1ANNMTMEN1KMT2A

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-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