SCHEMBL8109895

SCHEMBL8109895

O=C(CC1CCN(CCOc2cccc3c2OCCO3)C1)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.54
SLC6A4 P31645 1/20 0.51
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
HTR2B P41595 3/20 0.47
DRD2 P14416 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
DRD4 P21917 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 1/20 0.47
HTR7 P34969 1/20 0.46
CXCR2 P25025 1/20 0.45
MTNR1A P48039 2/20 0.44
HTR1D P28221 1/20 0.43

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
SCHEMBL6365007 1.00 HTR1A (0.54) HTR1ASLC6A4HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL9091527 0.99 HTR1A (0.53) HTR1ASLC6A4HTR2AHTR2CHTR2B
SCHEMBL9279214 0.86 HTR7 (0.46) HTR1AHTR2AHTR2CHTR2BDRD2
SCHEMBL8101143 0.83 HTR1A (0.52) HTR1AHTR2AHTR2CHTR2BDRD2
SCHEMBL8114352 0.83 HTR1A (0.56) HTR1ASLC6A4HTR2AHTR2CHTR7
Hydrochloric Acid SCHEMBL9092334 0.83 HTR1A (0.52) HTR1AHTR2AHTR2CHTR2BDRD2
Hydrochloric Acid SCHEMBL9091771 0.82 HTR1A (0.55) HTR1ASLC6A4HTR2AHTR2CHTR7
SCHEMBL14359458 0.80 HTR1A (0.55) HTR1ASLC6A4HTR7MTNR1A
SCHEMBL8114431 0.80 HTR1A (0.53) HTR1ASLC6A4HTR2AHTR2CHTR7
SCHEMBL14358972 0.79 HTR1A (0.60) HTR1ASLC6A4DRD2ADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669331-B1 Benzodioxane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-10-11 EP claimed
US-5500443-A SCHIZOPHRENIA ADIR ET COMPAGNIE (FR) 1996-03-19 US claimed
EP-0669331-A1 Benzodioxane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-08-30 EP claimed
US-20230035892-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING, INC. 2023-02-02 US disclosed
US-11274158-B2 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using calcitonin receptor activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2022-03-15 US disclosed
EP-0669331-B1 Benzodioxane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-10-11 EP disclosed
EP-0669331-A1 Benzodioxane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-08-30 EP disclosed