SCHEMBL9047659

SCHEMBL9047659

CNS(=O)(=O)Cc1ccc2[nH]cc(CCCN(C)CCN(C)c3ncnc(OC)c3OC)c2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.54
HTR1D P28221 7/20 0.54
HTR1B P28222 7/20 0.54
HTR2A P28223 3/20 0.54
HTR2C P28335 3/20 0.54
HTR2B P41595 2/20 0.54
HTR7 P34969 2/20 0.54
HTR5A P47898 2/20 0.54
HTR1E P28566 1/20 0.54
HTR1F P30939 1/20 0.54
HTR3A P46098 1/20 0.54
SLC47A1 Q96FL8 1/20 0.54
SLC6A4 P31645 3/20 0.39
LMNA P02545 1/20 0.38
ADRA2B P18089 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR6 P50406 1/20 0.37

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
SCHEMBL9047428 0.90 HTR1A (0.54) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL9047164 0.86 HTR1D (0.54) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL9047420 0.78 HTR2A (0.49) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL9046625 0.78 HTR1A (0.49) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL29355619 0.76 HTR1D (0.87) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6765827 0.76 HTR1D (0.53) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL9046142 0.76 HTR1A (0.54) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL9045692 0.74 HTR1D (0.48) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL9046438 0.73 HTR1D (0.56) HTR1AHTR1DHTR1BHTR2AHTR2C
Sumatriptan SCHEMBL183393 0.72 HTR1A (1.00) HTR1AHTR1DHTR1BHTR2AHTR2C

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