SCHEMBL9044824

SCHEMBL9044824

O=C1Cc2ccccc2N1CCN1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 15/20 0.66
DRD2 P14416 5/20 0.64
DRD4 P21917 2/20 0.64
HTR1A P08908 7/20 0.61
DRD3 P35462 4/20 0.61
DRD5 P21918 3/20 0.61
KDM1A O60341 1/20 0.54

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
SCHEMBL29525355 0.87 DRD2 (0.67) DRD2DRD4DRD3
SCHEMBL7607969 0.86 HTR7 (0.68) HTR7DRD2DRD4HTR1ADRD3
SCHEMBL9096389 0.81 DRD2 (0.83) HTR7DRD2DRD4HTR1ADRD3
SCHEMBL31419459 0.80 HDAC1 (0.49) HTR7DRD2DRD4HTR1ADRD3
SCHEMBL26621465 0.80 HDAC1 (0.49) HTR7DRD2DRD4HTR1ADRD3
SCHEMBL26750446 0.80 KDM4E (0.52) HTR7DRD2DRD4HTR1ADRD3
Hydrochloric Acid SCHEMBL9096256 0.80 DRD2 (0.81) HTR7DRD2DRD4HTR1ADRD3
SCHEMBL15681627 0.77 HDAC1 (0.54) DRD2DRD4DRD3
SCHEMBL9096608 0.77 DRD2 (0.80) HTR7DRD2DRD4HTR1ADRD3
SCHEMBL27071702 0.77 ALDH1A1 (0.47) HTR7DRD2DRD4HTR1ADRD3

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-0445781-B1 3-Arylcarbonyl-1-aminoalkyl-1H-indole containing antiglaucoma compositions STERLING WINTHROP INC (US) 1996-01-31 EP disclosed
EP-0445781-A1 3-Arylcarbonyl-1-aminoalkyl-1H-indole containing antiglaucoma compositions STERLING WINTHROP INC. (US) 1991-09-11 EP disclosed
US-5013837-A Treatment of glaucoma STERLING DRUG INC. (US) 1991-05-07 US disclosed
US-4973587-A 3-arylcarbonyl-1-aminoalkyl-1H-indole-containing antiglaucoma method STERLING DRUG INC. (US) 1990-11-27 US disclosed