SCHEMBL7256896

SCHEMBL7256896

CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.57
▸ MAOA P21397 3/20 0.57
▸ LMNA P02545 1/20 0.57
▸ PTGS1 P23219 1/20 0.57
▸ CALML3 P27482 1/20 0.57
▸ SDHA P31040 1/20 0.57
▸ CCKBR P32239 1/20 0.54
▸ CTSL P07711 2/20 0.50
▸ CTSS P25774 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ F10 P00742 2/20 0.49
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CCKAR P32238 1/20 0.46

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
SCHEMBL7256891 1.00 MAOB (0.57) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7257642 0.87 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7260883 0.86 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7260845 0.86 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7260886 0.86 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7260849 0.86 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
Hydrochloric Acid SCHEMBL7261332 0.85 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
Hydrochloric Acid SCHEMBL7261335 0.85 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3087603 0.84 CCKBR (0.50) MAOACCKBRCTSLCTSSCTSK
SCHEMBL7257649 0.82 MAOB (0.69) MAOBMAOALMNAPTGS1CALML3

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-2003093247-A2 ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2003-11-13 — — WO disclosed
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