SCHEMBL4787023

SCHEMBL4787023

CS(=O)(=O)OCC1CN(c2cc(F)c(N3CCP(=O)(c4ccc(F)cc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.40
MAOA P21397 3/20 0.39
GRM2 Q14416 8/20 0.38
SIGMAR1 Q99720 2/20 0.37
CALML3 P27482 3/20 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
SCHEMBL10316198 0.82 MAOA (0.44) MAOBMAOAGRM2CALML3
SCHEMBL18770291 0.82 MAOA (0.57) MAOBMAOAGRM2CALML3
SCHEMBL18770290 0.82 MAOA (0.57) MAOBMAOAGRM2CALML3
SCHEMBL4742211 0.80 GRM2 (0.43) MAOBGRM2CALML3
SCHEMBL16107381 0.80 MAOA (0.43) MAOBMAOAGRM2CALML3
SCHEMBL14872048 0.80 MAOA (0.43) MAOBMAOAGRM2CALML3
SCHEMBL13314694 0.80 MAOA (0.45) MAOBMAOAGRM2CALML3
SCHEMBL6957780 0.79 GRM2 (0.57) GRM2SIGMAR1
SCHEMBL6960959 0.79 GRM2 (0.57) GRM2SIGMAR1
SCHEMBL6967219 0.79 GRM2 (0.57) GRM2SIGMAR1

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
WO-2008090570-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD (IN) 2008-07-31 WO disclosed