SCHEMBL9824923

SCHEMBL9824923

COC(=O)OC1=CCCN(CCC2COc3ccccc3C2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.42
DRD2 P14416 9/20 0.40
HTR2A P28223 3/20 0.40
DRD3 P35462 3/20 0.40
MTNR1A P48039 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
LMNA P02545 1/20 0.39
HTR1A P08908 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
KCNH2 Q12809 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 SCHEMBL9824811 0.99 MALT1 (0.41) MALT1DRD2HTR2ADRD3MTNR1A
SCHEMBL9825435 0.90 SIGMAR1 (0.47) MALT1DRD2MTNR1ASIGMAR1LMNA
Hydrochloric Acid SCHEMBL9825052 0.89 SIGMAR1 (0.47) MALT1DRD2MTNR1ASIGMAR1LMNA
SCHEMBL9692507 0.84 MALT1 (0.43) MALT1DRD2HTR2ADRD3MTNR1A
Hydrochloric Acid SCHEMBL9692497 0.83 MALT1 (0.42) MALT1DRD2HTR2ADRD3MTNR1A
SCHEMBL9824689 0.82 MTNR1A (0.46) DRD2MTNR1A
SCHEMBL9824958 0.82 DRD2 (0.43) MALT1DRD2HTR2ADRD3MTNR1A
SCHEMBL10515426 0.81 DRD2 (0.33) DRD2HTR2ADRD3LMNA
Hydrochloric Acid SCHEMBL9825396 0.81 DRD2 (0.42) MALT1DRD2HTR2ADRD3MTNR1A
Hydrochloric Acid SCHEMBL10516467 0.80 DRD2 (0.33) DRD2LMNA

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