SCHEMBL9368347

SCHEMBL9368347

CN1CCCc2c(C(F)(F)F)ccc(OC[C@@H]3CNCCO3)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.53
SLC6A4 P31645 4/20 0.53
SLC6A2 P23975 2/20 0.47
HTR2B P41595 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ADRB2 P07550 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA2C P18825 1/20 0.47
HRH1 P35367 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR3A P46098 1/20 0.42
EPHA2 P29317 3/20 0.41
CNR2 P34972 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
IRAK4 Q9NWZ3 3/20 0.36

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
SCHEMBL9368345 1.00 HTR2A (0.53) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL9373065 0.87 SLC6A4 (0.69) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL9373062 0.87 SLC6A4 (0.69) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
Dabelotine SCHEMBL10634512 0.79 HTR2A (0.56) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL9372811 0.79 HTR2A (0.57) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
Dabelotine SCHEMBL194514 0.79 HTR2A (0.56) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL9372805 0.79 HTR2A (0.57) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
Dabelotine SCHEMBL29486227 0.79 HTR2A (0.56) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL9368334 0.76 SLC6A4 (0.51) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL9368329 0.76 SLC6A4 (0.51) HTR2ASLC6A4SLC6A2HTR2BSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0427605-B1 Morpholine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1994-04-27 EP claimed
US-5026701-A Antiischaemic agent, antidepressants, for treating cerebral aging ADIR ET COMPAGNIE (FR) 1991-06-25 US claimed
US-5026701-A Antiischaemic agent, antidepressants, for treating cerebral aging ADIR ET COMPAGNIE (FR) 1991-06-25 US disclosed