SCHEMBL4344044

SCHEMBL4344044

CCC[C@@H]1CN(CC(=O)c2cc(N(C)S(C)(=O)=O)c(O)c(C(C)(C)C)c2)C(=N)[C@@H]1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.39
MAOB P27338 4/20 0.33
BCHE P06276 2/20 0.33
MAOA P21397 2/20 0.33
ACHE P22303 2/20 0.33
PTGS2 P35354 4/20 0.32

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
SCHEMBL13750955 1.00 F2R (0.39) F2RMAOBBCHEMAOAACHE
Bromide SCHEMBL4320961 0.99 F2R (0.39) F2RMAOBBCHEMAOAACHE
SCHEMBL13751131 0.92 F2R (0.36) F2RMAOBBCHEMAOAACHE
Bromide SCHEMBL4319720 0.92 F2R (0.35) F2RMAOBBCHEMAOAACHE
SCHEMBL13750977 0.89 F2R (0.41) F2RMAOBBCHEMAOAACHE
SCHEMBL13758289 0.88 F2R (0.34) F2RMAOBBCHEMAOAACHE
SCHEMBL13751025 0.88 F2R (0.48) F2RMAOBBCHEMAOAACHE
SCHEMBL4345531 0.88 F2R (0.48) F2RMAOBBCHEMAOAACHE
Bromide SCHEMBL4319427 0.88 F2R (0.41) F2RMAOBBCHEMAOAACHE
Hydrochloric Acid SCHEMBL4325954 0.87 F2R (0.48) F2RMAOBBCHEMAOAACHE

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-1386912-B1 CYCLIC AMIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2009-03-18 EP claimed