SCHEMBL9800423

SCHEMBL9800423

CNS(=O)(=O)CCc1ccc2[nH]cc(CC#N)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 11/20 0.54
HTR1D P28221 10/20 0.54
HTR1A P08908 10/20 0.54
HTR2A P28223 3/20 0.54
HTR7 P34969 2/20 0.54
HTR5A P47898 2/20 0.54
HTR2B P41595 2/20 0.54
HTR2C P28335 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
CSNK2A1 P68400 3/20 0.50
HTR6 P50406 1/20 0.42
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
OPRM1 P35372 1/20 0.40

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
SCHEMBL9765114 0.88 HTR1D (0.65) HTR1BHTR1DHTR1AHTR2AHTR7
SCHEMBL9800403 0.84 CSNK2A1 (0.53) HTR1BHTR1DHTR1AHTR2AHTR7
SCHEMBL9800390 0.83 CSNK2A1 (0.50) HTR1BHTR1DHTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL9800399 0.83 HTR1A (0.57) HTR1BHTR1DHTR1AHTR2AHTR7
SCHEMBL9800384 0.83 HTR1D (0.59) HTR1BHTR1DHTR1AHTR2AHTR7
SCHEMBL9800332 0.83 HTR1A (0.59) HTR1BHTR1DHTR1AHTR2AHTR7
SCHEMBL9800335 0.83 HTR1A (0.61) HTR1BHTR1DHTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL9800422 0.81 HTR1A (0.77) HTR1BHTR1DHTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL9800405 0.81 HTR1A (0.77) HTR1BHTR1DHTR1AHTR2AHTR7
SCHEMBL9800369 0.81 HTR1A (0.57) HTR1BHTR1DHTR1AHTR2AHTR7

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
US-4994483-A 5-substituted-3-aminoalkyl indole derivatives for migraine GLAXO GROUP LIMITED (GB) 1991-02-19 US disclosed