SCHEMBL7879557

SCHEMBL7879557

COc1ccccc1C1CCNCC1O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.58
SLC6A2 P23975 5/20 0.44
SLC6A4 P31645 5/20 0.44
SLC6A3 Q01959 5/20 0.44
HTR2A P28223 3/20 0.43
HTR2B P41595 3/20 0.43
HTR1A P08908 2/20 0.43
ALK Q9UM73 1/20 0.42
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1E P28566 1/20 0.40
HTR7 P34969 1/20 0.40
HTR3A P46098 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 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
Hydrochloric Acid SCHEMBL7888778 0.98 HTR2C (0.59) HTR2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL31690776 0.88 HTR2C (0.58) HTR2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL7879540 0.83 HTR2C (0.44) HTR2CSLC6A2SLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL4892816 0.82 HTR2C (0.60) HTR2CSLC6A2SLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL4892806 0.82 HTR2C (0.60) HTR2CSLC6A2SLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL7887340 0.82 HTR2C (0.45) HTR2CSLC6A2SLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL4892811 0.82 HTR2C (0.60) HTR2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL7887349 0.82 HTR2C (0.58) HTR2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL10840665 0.81 HTR2C (0.57) HTR2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL10840668 0.81 HTR2C (0.57) HTR2CSLC6A2SLC6A4SLC6A3HTR2A

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-1109786-A1 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-27 EP disclosed
WO-2000014067-A1 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-03-16 WO disclosed