SCHEMBL8086570

SCHEMBL8086570

O=C(O)OC1CNc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
EPHX2 P34913 1/20 0.48
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 5/20 0.36
IDO1 P14902 2/20 0.35
BRD4 O60885 2/20 0.35
CREBBP Q92793 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
SCHEMBL9036114 1.00 MTNR1A (0.50) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8568310 0.86 CHRNA7 (0.49) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8568312 0.86 CHRNA7 (0.49) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8568313 0.86 CHRNA7 (0.49) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL29073380 0.86 MTNR1A (0.49) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8562150 0.86 MTNR1A (0.56) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8562145 0.86 MTNR1A (0.56) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8562147 0.86 MTNR1A (0.56) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL9035962 0.85 MTNR1A (0.49) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL7834187 0.84 GAA (0.44) MTNR1AMTNR1BEPHX2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823425-B1 Process for the preparation of an enantiopure tetrahydroquinoline-carboxylic acid ARCHIMICA SPA (IT) 2000-10-18 EP claimed
EP-0672701-B1 PNA-synthesis using a base labile aminoprotecting group HOECHST AG (DE) 1999-07-28 EP claimed
EP-0672701-A1 PNA-synthesis using a base labile aminoprotecting group HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP claimed
EP-0672701-B1 PNA-synthesis using a base labile aminoprotecting group HOECHST AG (DE) 1999-07-28 EP disclosed
EP-0672701-A1 PNA-synthesis using a base labile aminoprotecting group HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed