SCHEMBL6236038

SCHEMBL6236038

CC(=O)NCC1CN(c2ccc(N3CCN(C(=S)C4CC4)CC3)nc2)C(=O)O1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.53
MAOA P21397 4/20 0.47
MAOB P27338 3/20 0.47
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
CALML3 P27482 1/20 0.47
SDHA P31040 1/20 0.47
ABCB11 O95342 1/20 0.46
F2 P00734 2/20 0.43
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43

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
SCHEMBL6236028 1.00 F10 (0.53) F10MAOAMAOBLMNAPTGS1
SCHEMBL6237032 0.94 F10 (0.52) F10MAOAMAOBLMNAPTGS1
SCHEMBL6237098 0.92 F10 (0.56) F10MAOAMAOBLMNAPTGS1
SCHEMBL6239389 0.92 F10 (0.56) F10MAOAMAOBLMNAPTGS1
SCHEMBL6233749 0.91 F10 (0.53) F10MAOBF2ITGB3ITGA2B
SCHEMBL6239282 0.88 F10 (0.54) F10MAOAMAOBLMNAPTGS1
SCHEMBL6233491 0.85 F10 (0.55) F10MAOBF2ITGB3ITGA2B
SCHEMBL6235612 0.85 F10 (0.53) F10MAOBF2ITGB3ITGA2B
SCHEMBL6235614 0.85 F10 (0.53) F10MAOBF2ITGB3ITGA2B
SCHEMBL6254766 0.84 F10 (0.47) F10MAOAMAOBLMNAPTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005003087-A2 OXAZOLE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2005-01-13 WO claimed
WO-2005003087-A2 OXAZOLE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2005-01-13 WO disclosed