SCHEMBL7443635

SCHEMBL7443635

COc1cccc(C2CCNCC2O)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.60
HTR2A P28223 2/20 0.47
HTR2B P41595 2/20 0.47
EED O75530 1/20 0.45
SLC9A1 P19634 1/20 0.43
HTR6 P50406 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
ALK Q9UM73 1/20 0.41

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
SCHEMBL18618447 0.82 HTR2C (0.59) HTR2CHTR2AHTR2BEEDSLC9A1
SCHEMBL16874548 0.82 REN (0.52) HTR2C
SCHEMBL16874609 0.82 REN (0.52) HTR2C
SCHEMBL16874612 0.82 REN (0.52) HTR2C
SCHEMBL17474525 0.81 HTR2C (0.55) HTR2CHTR2AHTR2BSLC9A1HTR6
SCHEMBL7840122 0.81 HTR2C (0.57) HTR2CHTR2AHTR2BHTR6
Hydrochloric Acid SCHEMBL7842128 0.79 HTR2C (0.58) HTR2CHTR2AHTR2BHTR6
Hydrochloric Acid SCHEMBL7842131 0.79 HTR2C (0.58) HTR2CHTR2AHTR2BHTR6
SCHEMBL765244 0.79 HTR2C (0.51) HTR2CHTR2AHTR2BSLC9A1DDB1
SCHEMBL8032211 0.79 HTR2C (0.82) HTR2CHTR2AHTR2BEEDHTR6

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-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed