SCHEMBL29073380

SCHEMBL29073380

NC(=O)OC1CNc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
EPHX2 P34913 1/20 0.47
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
IDO1 P14902 2/20 0.38
MAPK1 P28482 5/20 0.38
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9036114 0.86 MTNR1A (0.50) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8086570 0.86 MTNR1A (0.50) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8562147 0.84 MTNR1A (0.56) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8562150 0.84 MTNR1A (0.56) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8562145 0.84 MTNR1A (0.56) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8568310 0.82 CHRNA7 (0.49) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8568312 0.82 CHRNA7 (0.49) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL17049225 0.82 EPHX2 (0.54) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8568313 0.82 CHRNA7 (0.49) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL29073305 0.82 MTNR1A (0.33) MTNR1AMTNR1BEPHX2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116783165-A 1,2,3, 4-tetrahydroquinoline derivatives as YAP/TAZ-TEAD activation inhibitors for the treatment of cancer 天主教鲁汶大学 2023-09-19 CN disclosed