SCHEMBL9526596

SCHEMBL9526596

CCS(=O)(=O)Nc1ccc2c(c1)c(C1CCNCC1)cn2C

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.53
RORC P51449 17/20 0.48
DRD2 P14416 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL9526689 0.88 APP (0.42) APPRORC
SCHEMBL8527197 0.87 RORC (0.53) RORCDRD2SLC6A4
SCHEMBL17495376 0.82 RORC (0.70) RORC
SCHEMBL12129564 0.81 APP (0.77) APPRORCDRD2SLC6A4
SCHEMBL17963811 0.77 RORC (0.72) APPRORC
SCHEMBL12129569 0.76 APP (0.83) APPRORCDRD2SLC6A4
SCHEMBL206108 0.74 APP (0.51) APPRORCDRD2SLC6A4
SCHEMBL9527227 0.74 APP (0.44) APPRORCDRD2SLC6A4
SCHEMBL21384653 0.74 KCNH2 (0.62) APPDRD2SLC6A4
SCHEMBL21088053 0.74 APP (0.50) APPDRD2SLC6A4

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