SCHEMBL9687900

SCHEMBL9687900

C=CCn1cc(CCN(C)C)c2cc(CS(=O)(=O)NC)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.55
HTR1D P28221 3/20 0.55
HTR1B P28222 3/20 0.55
HTR2A P28223 2/20 0.55
HTR1E P28566 2/20 0.55
HTR1F P30939 2/20 0.55
HTR7 P34969 2/20 0.55
HTR2B P41595 2/20 0.55
HTR2C P28335 1/20 0.55
HTR3A P46098 1/20 0.55
HTR5A P47898 1/20 0.55
SLC47A1 Q96FL8 1/20 0.55
HTR6 P50406 16/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9687324 0.89 HTR1A (0.57) HTR1AHTR1DHTR1BHTR2AHTR1E
SCHEMBL13651695 0.88 HTR1A (0.56) HTR1AHTR1DHTR1BHTR2AHTR1E
Hydrochloric Acid SCHEMBL9687692 0.88 HTR1A (0.56) HTR1AHTR1DHTR1BHTR2AHTR1E
SCHEMBL9765127 0.85 HTR6 (0.61) HTR1AHTR1DHTR1BHTR2AHTR1E
SCHEMBL9688466 0.84 HTR1A (0.60) HTR1AHTR1DHTR1BHTR2AHTR1E
SCHEMBL9800371 0.81 HTR6 (0.44) HTR1AHTR1DHTR1BHTR1EHTR1F
SCHEMBL10109312 0.81 HTR1A (0.56) HTR1AHTR1DHTR1BHTR2AHTR1E
SCHEMBL9597932 0.80 HTR1A (0.55) HTR1AHTR1DHTR1BHTR2AHTR1E
Oxalic Acid SCHEMBL9687340 0.80 HTR2A (0.48) HTR1AHTR1DHTR1BHTR2AHTR1E
SCHEMBL9597530 0.79 HTR1A (0.53) HTR1AHTR1DHTR1BHTR2AHTR1E

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-0500086-A1 Indole derivatives, their use as medicines and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1992-08-26 EP disclosed