SCHEMBL8690809

SCHEMBL8690809

[CH2]CCC(c1c[nH]c2ccc(OC)cc12)C(C1=CC=CCC1)C1=COC=CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
SRC P12931 1/20 0.32
HTR1A P08908 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL8694687 0.94 HTR2B (0.38) HTR2BHTR2AHTR2CMTNR1AMTNR1B
SCHEMBL7825306 0.89 MTNR1A (0.38) HTR2BHTR2AHTR2CMTNR1AMTNR1B
SCHEMBL8690899 0.87 MPO (0.31)
SCHEMBL8690937 0.85 GPR84 (0.32) HTR2BHTR2AHTR2CGPR84CYP2D6
SCHEMBL8692253 0.81 MPO (0.31) GPR84
SCHEMBL8691126 0.79 GPR84 (0.32) HTR2BHTR2AHTR2CGPR84
SCHEMBL7817703 0.74 HTR2A (0.43) HTR2BHTR2AHTR2CMTNR1AMTNR1B
SCHEMBL7834306 0.74 HDAC3 (0.33) HTR2BHTR2AHTR2CMAPTGAA
SCHEMBL8690737 0.68 HTR2C (0.40) HTR2BHTR2AHTR2CLMNAMAPT
SCHEMBL7817353 0.64 SLC6A4 (0.46) MAPTKDM4EHTR1AHTR1DHTR1B

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
US-5750724-A SEROTONIN 5-HT REUPTAKE INHIBITORS; ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 US claimed
US-5750724-A SEROTONIN 5-HT REUPTAKE INHIBITORS; ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 US disclosed