SCHEMBL9692800

SCHEMBL9692800

COC(=O)CCNCC1COc2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.53
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
DRD1 P21728 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
MTNR1A P48039 2/20 0.47
ACLY P53396 1/20 0.44
TP53 P04637 3/20 0.43
HDAC1 Q13547 1/20 0.43
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL9458737 0.90 MALT1 (0.51) MALT1HTR1ADRD2DRD1HTR1B
Hydrochloric Acid SCHEMBL9239657 0.89 MALT1 (0.50) MALT1HTR1ADRD2DRD1HTR1B
SCHEMBL9692869 0.88 MALT1 (0.57) MALT1MTNR1ATP53HDAC1SIGMAR1
SCHEMBL9691881 0.83 MTNR1A (0.52) MALT1MTNR1ATP53
Hydrochloric Acid SCHEMBL9692584 0.82 MTNR1A (0.51) MALT1MTNR1ATP53
SCHEMBL9690389 0.81 MALT1 (0.48) MALT1HTR1ADRD2DRD1HTR1B
SCHEMBL9240649 0.80 MALT1 (0.48) MALT1MTNR1AACLYTP53HDAC1
SCHEMBL9692276 0.80 MALT1 (0.48) MALT1MTNR1AACLYTP53HDAC1
SCHEMBL9692320 0.79 POLB (0.64) HTR1AMTNR1A
SCHEMBL19658437 0.78 MTNR1A (0.65) MALT1MTNR1AACLYTP53HDAC1

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-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
US-5112855-A Nootropic Agents CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
EP-0252005-B1 HYDROGENATED 1-BENZOOXACYCLOALKYL-PYRIDINE CARBOXYLIC-ACID COMPOUNDS CIBA-GEIGY AG (CH) 1991-07-10 EP disclosed
US-4957928-A NOOTROPIC AGENTS, COGNITION ACTIVATORS CIBA-GEIGY CORPORATION (US) 1990-09-18 US disclosed