SCHEMBL4742211

SCHEMBL4742211

CS(=O)(=O)OCC1CN(c2cc(F)c(C3CCP(=O)(c4ccccc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.43
MAOB P27338 2/20 0.40
CALML3 P27482 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
SCHEMBL13939905 0.82 MAOB (0.43) GRM2MAOBCALML3
SCHEMBL4741910 0.81 MAOB (0.46) MAOBCALML3
SCHEMBL4787023 0.80 MAOB (0.40) GRM2MAOBCALML3
SCHEMBL4741596 0.80 MAOA (0.56) MAOBCALML3
SCHEMBL6955426 0.77 GRM2 (0.65) GRM2
SCHEMBL8799676 0.77 GRM2 (0.65) GRM2
SCHEMBL3331808 0.77 GRM2 (0.65) GRM2
SCHEMBL4783583 0.76 F10 (0.43) GRM2MAOBCALML3
SCHEMBL2891056 0.76 MAOB (0.44) GRM2MAOBCALML3
SCHEMBL14898022 0.76 MAOB (0.56) MAOBCALML3

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