SCHEMBL9045692

SCHEMBL9045692

CNS(=O)(=O)Cc1ccc2[nH]cc(CCCNC3CCN(c4ncnc(OC)c4OC)C3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 9/20 0.48
HTR1B P28222 9/20 0.48
HTR1A P08908 6/20 0.44
HTR2A P28223 3/20 0.44
HTR2B P41595 2/20 0.44
HTR2C P28335 1/20 0.44
HTR1E P28566 1/20 0.44
HTR1F P30939 1/20 0.44
HTR7 P34969 1/20 0.44
HTR3A P46098 1/20 0.44
HTR5A P47898 1/20 0.44
SLC47A1 Q96FL8 1/20 0.44
LMNA P02545 1/20 0.35
ADRA2B P18089 1/20 0.35
KCNH2 Q12809 1/20 0.35
SLC6A4 P31645 1/20 0.34
ACACB O00763 5/20 0.34
ALDH1A1 P00352 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL9049361 0.93 HTR1D (0.48) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL9046688 0.87 HTR1D (0.49) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL6765827 0.84 HTR1D (0.53) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL9046438 0.80 HTR1D (0.56) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL9047420 0.78 HTR2A (0.49) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL9046625 0.78 HTR1A (0.49) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL9048806 0.78 HTR1D (0.46) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL9047899 0.77 HTR1D (0.53) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL9047428 0.77 HTR1A (0.54) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL9047659 0.74 HTR1A (0.54) HTR1DHTR1BHTR1AHTR2AHTR2B

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-0714896-A1 INDOL DERIVATIVES USEFUL FOR THE TREATMENT OF MIGRAINE, COMPOSITION AND UTILIZATION VITA-INVEST, S.A. (ES) 1996-06-05 EP claimed
EP-0714896-A1 INDOL DERIVATIVES USEFUL FOR THE TREATMENT OF MIGRAINE, COMPOSITION AND UTILIZATION VITA-INVEST, S.A. (ES) 1996-06-05 EP disclosed