SCHEMBL9825463

SCHEMBL9825463

COC(=O)OC1CN(CCC2COc3ccccc3C2)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
MALT1 Q9UDY8 1/20 0.41
DRD2 P14416 10/20 0.39
SIGMAR1 Q99720 2/20 0.39
LMNA P02545 1/20 0.39
HTR2A P28223 4/20 0.38
DRD3 P35462 3/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR1A P08908 2/20 0.37
DRD1 P21728 1/20 0.37
HTR1B P28222 1/20 0.37
FEN1 P39748 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
Hydrochloric Acid SCHEMBL9825461 0.99 MTNR1A (0.41) MTNR1AMALT1DRD2SIGMAR1LMNA
SCHEMBL9825020 0.90 SIGMAR1 (0.47) MTNR1AMALT1DRD2SIGMAR1LMNA
Hydrochloric Acid SCHEMBL9824976 0.90 SIGMAR1 (0.46) MTNR1AMALT1DRD2SIGMAR1LMNA
SCHEMBL9692821 0.85 MALT1 (0.42) MTNR1AMALT1DRD2SIGMAR1LMNA
Hydrochloric Acid SCHEMBL9692813 0.84 MALT1 (0.42) MTNR1AMALT1DRD2SIGMAR1LMNA
SCHEMBL9825383 0.83 MTNR1A (0.45) MTNR1ADRD2HTR1A
SCHEMBL9825802 0.82 MALT1 (0.42) MTNR1AMALT1DRD2SIGMAR1LMNA
Hydrochloric Acid SCHEMBL9825109 0.82 MTNR1A (0.44) MTNR1ADRD2HTR1A
SCHEMBL10513286 0.81 DRD2 (0.33) DRD2LMNAHTR2AKCNH2
SCHEMBL9825350 0.81 DRD2 (0.45) MTNR1AMALT1DRD2SIGMAR1LMNA

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-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