SCHEMBL9688466

SCHEMBL9688466

CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)cn2C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.60
HTR1D P28221 3/20 0.60
HTR1B P28222 3/20 0.60
HTR7 P34969 3/20 0.60
HTR2A P28223 3/20 0.60
HTR2B P41595 3/20 0.60
HTR1E P28566 2/20 0.60
HTR1F P30939 2/20 0.60
HTR5A P47898 2/20 0.60
HTR2C P28335 2/20 0.60
HTR3A P46098 1/20 0.60
SLC47A1 Q96FL8 1/20 0.60
HTR6 P50406 16/20 0.54
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
LMNA P02545 1/20 0.40
ADRA2B P18089 1/20 0.40
KCNH2 Q12809 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
SCHEMBL9688555 0.86 HTR6 (0.57) HTR1AHTR1DHTR1BHTR7HTR2A
SCHEMBL9687324 0.86 HTR1A (0.57) HTR1AHTR1DHTR1BHTR7HTR2A
SCHEMBL917269 0.85 HTR6 (0.56) HTR1AHTR1DHTR1BHTR7HTR2A
SCHEMBL10109312 0.85 HTR1A (0.56) HTR1AHTR1DHTR1BHTR7HTR2A
SCHEMBL13651695 0.85 HTR1A (0.56) HTR1AHTR1DHTR1BHTR7HTR2A
Hydrochloric Acid SCHEMBL9687692 0.85 HTR1A (0.56) HTR1AHTR1DHTR1BHTR7HTR2A
SCHEMBL9597932 0.84 HTR1A (0.55) HTR1AHTR1DHTR1BHTR7HTR2A
SCHEMBL9687900 0.84 HTR1A (0.55) HTR1AHTR1DHTR1BHTR7HTR2A
SCHEMBL9597530 0.82 HTR1A (0.53) HTR1AHTR1DHTR1BHTR7HTR2A
SCHEMBL9765127 0.82 HTR6 (0.61) HTR1AHTR1DHTR1BHTR7HTR2A

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
WO-1992014708-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1992-09-03 WO disclosed
EP-0500086-A1 Indole derivatives, their use as medicines and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1992-08-26 EP disclosed