SCHEMBL9826865

SCHEMBL9826865

COC(=O)O[C@H]1CN(CCC2COc3ccccc3O2)CC[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
DRD2 P14416 2/20 0.44
HTT P42858 1/20 0.44
HTR1A P08908 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9825726 1.00 MTNR1A (0.45) MTNR1ADRD2HTTHTR1ANPC1
Hydrochloric Acid SCHEMBL9825354 0.99 MTNR1A (0.44) MTNR1ADRD2HTTHTR1ANPC1
Fumaric Acid SCHEMBL9825239 0.95 HTT (0.42) MTNR1ADRD2HTTHTR1A
SCHEMBL9825765 0.90 MTNR1A (0.45) MTNR1ADRD2HTTHTR1ANPC1
SCHEMBL9825617 0.85 POLB (0.43) MTNR1AHTTHTR1A
SCHEMBL9825953 0.85 POLB (0.43) MTNR1AHTTHTR1A
SCHEMBL9692374 0.84 HTT (0.48) MTNR1ADRD2HTTHTR1ANPC1
SCHEMBL9692391 0.84 HTT (0.48) MTNR1ADRD2HTTHTR1ANPC1
SCHEMBL9692918 0.84 HTT (0.48) MTNR1ADRD2HTTHTR1ANPC1
SCHEMBL9692907 0.84 HTT (0.48) MTNR1ADRD2HTTHTR1ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252005-B1 HYDROGENATED 1-BENZOOXACYCLOALKYL-PYRIDINE CARBOXYLIC-ACID COMPOUNDS CIBA-GEIGY AG (CH) 1991-07-10 EP claimed
EP-0252005-A1 Hydrogenated 1-benzooxacycloalkyl-pyridine carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-07 EP claimed
EP-0252005-B1 HYDROGENATED 1-BENZOOXACYCLOALKYL-PYRIDINE CARBOXYLIC-ACID COMPOUNDS CIBA-GEIGY AG (CH) 1991-07-10 EP disclosed
EP-0252005-A1 Hydrogenated 1-benzooxacycloalkyl-pyridine carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-07 EP disclosed