SCHEMBL4337619

SCHEMBL4337619

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.46
MAOB P27338 4/20 0.39
BCHE P06276 2/20 0.39
MAOA P21397 2/20 0.39
ACHE P22303 2/20 0.39
TNFRSF1A P19438 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.34
PTGS2 P35354 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
SCHEMBL13750962 1.00 F2R (0.46) F2RMAOBBCHEMAOAACHE
Bromide SCHEMBL4334113 0.99 F2R (0.45) F2RMAOBBCHEMAOAACHE
Bromide SCHEMBL5490249 0.99 F2R (0.45) F2RMAOBBCHEMAOAACHE
SCHEMBL4335548 0.91 F2R (0.44) F2RMAOBBCHEMAOAACHE
SCHEMBL13750959 0.91 F2R (0.44) F2RMAOBBCHEMAOAACHE
Bromide SCHEMBL4330579 0.90 F2R (0.43) F2RMAOBBCHEMAOAACHE
SCHEMBL13751134 0.89 F2R (0.48) F2RMAOBBCHEMAOAACHE
SCHEMBL13751158 0.89 F2R (0.48) F2RMAOBBCHEMAOAACHE
SCHEMBL13751135 0.89 F2R (0.47) F2RMAOBBCHEMAOAACHE
SCHEMBL4338264 0.89 F2R (0.43) 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