SCHEMBL10494794

SCHEMBL10494794

CC(C)n1cc(CCN)c2cc(CS(N)(=O)=O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 15/20 0.42
▸ ADRB2 P07550 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR2A P28223 1/20 0.37
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MET P08581 1/20 0.33

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
SCHEMBL5918471 0.86 ADRB2 (0.56) HTR6ADRB2HTR1DHTR2ACA1
Hydrochloric Acid SCHEMBL7558473 0.85 ADRB2 (0.54) HTR6ADRB2HTR1DHTR2ACA1
SCHEMBL10494798 0.81 HTR6 (0.41) HTR6ADRB2HTR1DHTR2ACA1
SCHEMBL10716608 0.80 POLB (0.46) HTR6ADRB2HTR1DHTR2A
SCHEMBL25398994 0.80 HTR6 (0.49) HTR6ADRB2HTR1DHTR2A
SCHEMBL10494711 0.79 ADRB2 (0.47) HTR6ADRB2HTR1DHTR2ACA1
SCHEMBL9597127 0.77 HTR6 (0.35) HTR6ADRB2HTR1D
SCHEMBL10494731 0.77 PLA2G4A (0.53) —
SCHEMBL10695378 0.76 HTR6 (0.58) HTR6HTR1D
SCHEMBL25100768 0.76 HTR6 (0.47) HTR6ADRB2HTR1DHTR2A

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-4816470-A Heterocyclic compounds GLAXO GROUP LIMITED 1989-03-28 — — US disclosed
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