SCHEMBL878023

SCHEMBL878023

O=C(O)OC1CCc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
FABP7 O15540 1/20 0.45
FABP5 Q01469 1/20 0.45
PLAU P00749 1/20 0.44
IDO1 P14902 2/20 0.42
ANPEP P15144 1/20 0.42
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
AKR1C3 P42330 1/20 0.40
NPY5R Q15761 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR2B P41595 1/20 0.40
FAAH O00519 2/20 0.39
GRIN2B Q13224 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL1081511 0.87 FABP7 (0.56) FABP7FABP5IDO1BCHEACHE
SCHEMBL13456262 0.84 PLAU (0.47) MTNR1AMTNR1BFABP7FABP5PLAU
SCHEMBL9415738 0.84 MTNR1A (0.45) MTNR1AMTNR1BFABP7FABP5PLAU
SCHEMBL30612403 0.84 MTNR1A (0.53) MTNR1AMTNR1BFABP7FABP5PLAU
SCHEMBL20476247 0.83 BCHE (0.47) MTNR1AMTNR1BFABP7FABP5PLAU
SCHEMBL18714043 0.81 MTNR1A (0.46) MTNR1AMTNR1BFABP7FABP5PLAU
SCHEMBL6659685 0.81 MTNR1A (0.43) MTNR1AMTNR1BFABP7FABP5PLAU
SCHEMBL28586526 0.81 CYP19A1 (0.46) MTNR1AMTNR1BGRIN2B
SCHEMBL16691724 0.80 MTNR1A (0.45) MTNR1AMTNR1BFABP7FABP5PLAU
SCHEMBL20476252 0.80 MTNR1A (0.49) MTNR1AMTNR1BFABP7FABP5PLAU

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-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed