SCHEMBL9800380

SCHEMBL9800380

CCN(C)C(=O)Cc1c[nH]c2ccc(CCS(=O)(=O)NC)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 10/20 0.53
HTR1B P28222 10/20 0.53
HTR1A P08908 10/20 0.53
HTR2A P28223 3/20 0.53
HTR7 P34969 2/20 0.53
HTR5A P47898 2/20 0.53
HTR2B P41595 2/20 0.53
HTR2C P28335 1/20 0.53
HTR1E P28566 1/20 0.53
HTR1F P30939 1/20 0.53
HTR3A P46098 1/20 0.53
SLC47A1 Q96FL8 1/20 0.53
HTR6 P50406 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
ADRA2B P18089 1/20 0.39
KCNH2 Q12809 1/20 0.39
MPO P05164 2/20 0.39
SLC6A4 P31645 2/20 0.39

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
SCHEMBL9800358 0.90 HTR1D (0.56) HTR1DHTR1BHTR1AHTR2AHTR7
SCHEMBL9800416 0.85 HTR1B (0.54) HTR1DHTR1BHTR1AHTR2AHTR7
SCHEMBL9800378 0.81 HTR1A (0.48) HTR1DHTR1BHTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL9800406 0.81 HTR1A (0.64) HTR1DHTR1BHTR1AHTR2AHTR7
SCHEMBL9800349 0.80 HTR1A (0.80) HTR1DHTR1BHTR1AHTR2AHTR7
Oxalic Acid SCHEMBL9800389 0.80 HTR1A (0.72) HTR1DHTR1BHTR1AHTR2AHTR7
SCHEMBL9800384 0.80 HTR1D (0.59) HTR1DHTR1BHTR1AHTR2AHTR7
SCHEMBL9765120 0.79 HTR1D (0.68) HTR1DHTR1BHTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL9800365 0.79 HTR1A (0.79) HTR1DHTR1BHTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL9800422 0.78 HTR1A (0.77) HTR1DHTR1BHTR1AHTR2AHTR7

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