SCHEMBL8687907

SCHEMBL8687907

O=C(O)CCCN1CCc2ccccc2C1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 12/20 0.76
HTR1A P08908 10/20 0.76
DRD2 P14416 7/20 0.76
DRD3 P35462 7/20 0.76
HTR2B P41595 7/20 0.76
HTR2A P28223 6/20 0.76
HRH1 P35367 6/20 0.76
SLC6A4 P31645 3/20 0.76
HDAC3 O15379 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
NCOR2 Q9Y618 2/20 0.64
HDAC2 Q92769 1/20 0.64
KDM4E B2RXH2 1/20 0.62
ALOX15 P16050 1/20 0.62

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 SCHEMBL3887340 0.98 HTR7 (0.74) HTR7HTR1ADRD2DRD3HTR2B
SCHEMBL17598257 0.95 HDAC3 (0.71) HTR7HTR1ADRD2DRD3HTR2B
SCHEMBL3477555 0.90 HDAC3 (0.70) HTR7HTR1ADRD2DRD3HTR2B
SCHEMBL4229925 0.88 HTR7 (0.73) HTR7HTR1ADRD2DRD3HTR2B
SCHEMBL20358752 0.87 HTR1A (1.00) HTR7HTR1ADRD2DRD3HTR2B
Hydrochloric Acid SCHEMBL4222979 0.86 HTR7 (0.71) HTR7HTR1ADRD2DRD3HTR2B
SCHEMBL16993484 0.83 HDAC3 (0.55) HTR7HTR1ADRD2DRD3HTR2B
Fumaric Acid SCHEMBL4232353 0.83 HTR7 (0.66) HTR7HTR1ADRD2DRD3HTR2B
SCHEMBL4225894 0.83 HDAC3 (0.71) HTR7HTR1ADRD2DRD3HTR2B
Acetic Acid SCHEMBL6524435 0.82 DRD3 (0.64) HTR7HTR1ADRD2DRD3HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789434-A ACID, ESTER OR AMIDE DERIVATIVES AS ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AND REDUCTION OF CARTILAGE DETERIORATION BAYER CORPORATION (US) 1998-08-04 US disclosed