SCHEMBL6826734

SCHEMBL6826734

O=C1O[C@@H](CNC(O)=S)CN1c1ccc(C2CCN(C(=S)c3cnccn3)CC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 2/20 0.45
MAOB P27338 6/20 0.43
MAOA P21397 6/20 0.43
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
SDHA P31040 1/20 0.42
F10 P00742 6/20 0.40

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
SCHEMBL6826900 0.94 MAOB (0.44) CALML3MAOBMAOALMNAPTGS1
SCHEMBL7129746 0.93 MAOA (0.48) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6823523 0.92 MAOA (0.43) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6826892 0.86 MAOA (0.44) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6826764 0.85 MAOA (0.53) CALML3MAOBMAOALMNAPTGS1
SCHEMBL5422796 0.81 MAOB (0.58) CALML3MAOBMAOALMNAPTGS1
SCHEMBL5422792 0.81 MAOB (0.58) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6260687 0.80 F10 (0.46) CALML3F10
SCHEMBL7255302 0.80 MAOA (0.47) CALML3MAOBMAOALMNAPTGS1
SCHEMBL7255296 0.80 MAOA (0.47) CALML3MAOBMAOALMNAPTGS1

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-2004113329-A1 OXAZOLE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2004-12-29 WO disclosed