SCHEMBL9800342

SCHEMBL9800342

C=CCNCCc1c[nH]c2ccc(CCS(=O)(=O)NC)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.54
HTR1D P28221 5/20 0.54
HTR1B P28222 5/20 0.54
HTR1A P08908 4/20 0.54
HTR7 P34969 2/20 0.54
HTR5A P47898 2/20 0.54
HTR2C P28335 2/20 0.54
HTR1E P28566 1/20 0.54
HTR1F P30939 1/20 0.54
HTR2B P41595 1/20 0.54
HTR3A P46098 1/20 0.54
SLC47A1 Q96FL8 1/20 0.54
HTR6 P50406 1/20 0.43
MPO P05164 3/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
Oxalic Acid SCHEMBL9800370 0.95 HTR1D (0.50) HTR2AHTR1DHTR1BHTR1AHTR7
SCHEMBL9800346 0.87 MPO (0.57) HTR2AHTR1DHTR1BHTR1AHTR7
SCHEMBL9800332 0.85 HTR1A (0.59) HTR2AHTR1DHTR1BHTR1AHTR7
Hydrochloric Acid SCHEMBL9800419 0.85 MPO (0.57) HTR2AHTR1DHTR1BHTR1AHTR7
Hydrochloric Acid SCHEMBL9800399 0.83 HTR1A (0.57) HTR2AHTR1DHTR1BHTR1AHTR7
SCHEMBL9800430 0.82 MTNR1A (0.60) HTR2AHTR1DHTR1BHTR1AHTR7
SCHEMBL10753218 0.82 HTR2A (0.47) HTR2AHTR1DHTR1BHTR1AHTR7
SCHEMBL9800349 0.81 HTR1A (0.80) HTR2AHTR1DHTR1BHTR1AHTR7
SCHEMBL9800384 0.81 HTR1D (0.59) HTR2AHTR1DHTR1BHTR1AHTR7
SCHEMBL9800335 0.81 HTR1A (0.61) HTR2AHTR1DHTR1BHTR1AHTR7

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