SCHEMBL9047260

SCHEMBL9047260

CNS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCC(N)C3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 14/20 0.66
HTR1B P28222 13/20 0.66
HTR1A P08908 7/20 0.62
HTR2A P28223 3/20 0.62
HTR2B P41595 2/20 0.56
HTR2C P28335 1/20 0.56
HTR1E P28566 1/20 0.56
HTR1F P30939 1/20 0.56
HTR7 P34969 1/20 0.56
HTR3A P46098 1/20 0.56
HTR5A P47898 1/20 0.56
SLC47A1 Q96FL8 1/20 0.56
LMNA P02545 1/20 0.43
ADRA2B P18089 1/20 0.43
KCNH2 Q12809 1/20 0.43
MPO P05164 2/20 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
SCHEMBL10494708 0.79 HTR1D (0.71) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL14358873 0.78 HTR1A (0.72) HTR1DHTR1BHTR1AHTR7KCNH2
SCHEMBL14359656 0.78 HTR1D (0.60) HTR1DHTR1BHTR1AHTR2ALMNA
SCHEMBL9045509 0.78 HTR1D (0.58) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL9046438 0.78 HTR1D (0.56) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL9050352 0.77 HTR1D (0.56) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL7474856 0.77 HTR1D (0.68) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL8093323 0.77 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL4347590 0.77 HTR1D (0.71) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL9262749 0.77 HTR1D (0.71) 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 1 patent. 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 disclosed