SCHEMBL9526689

SCHEMBL9526689

CCn1cc(C2CCNCC2)c2cc(NS(=O)(=O)CC)ccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
HTR6 P50406 5/20 0.41
RORC P51449 6/20 0.41
BRPF1 P55201 1/20 0.39
HTR1A P08908 2/20 0.38
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37
KCNH2 Q12809 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL9526596 0.88 APP (0.53) APPRORC
SCHEMBL8316249 0.77 HTR6 (0.53) HTR6MAPT
SCHEMBL9527801 0.76 HTR6 (0.41) APPHTR6RORCHTR1AKCNH2
SCHEMBL8527197 0.75 RORC (0.53) RORC
SCHEMBL17495392 0.72 RORC (0.76) RORC
SCHEMBL17495376 0.70 RORC (0.70) RORC
SCHEMBL8967263 0.69 HTR6 (0.58) HTR6BRPF1HTR1A
SCHEMBL21088623 0.69 APP (0.59) APPHTR6RORCHTR1AKCNH2
SCHEMBL12129564 0.68 APP (0.77) APPRORCKCNH2
SCHEMBL7483036 0.67 APP (0.56) APPHTR6HTR1A

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-0303507-B1 INDOLE DERIVATIVES GLAXO GROUP LTD (GB) 1993-07-28 EP claimed