SCHEMBL6237040

SCHEMBL6237040

O=C(N1CCC(N2CCCCC2)CC1)N1CCN(c2ccc(N3CC(CNC(O)=S)OC3=O)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.48
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 3/20 0.39

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
SCHEMBL6237033 1.00 F10 (0.48) F10ITGB3ITGA2BHRH3ALDH1A1
SCHEMBL6233514 0.93 F10 (0.50) F10ITGB3ITGA2BALDH1A1HPGD
SCHEMBL6237028 0.91 F10 (0.48) F10ITGB3ITGA2BHRH3ALDH1A1
SCHEMBL6239827 0.85 F10 (0.48) F10ITGB3ITGA2BALDH1A1HPGD
SCHEMBL6239834 0.85 F10 (0.48) F10ITGB3ITGA2BALDH1A1HPGD
SCHEMBL6233491 0.85 F10 (0.55) F10ITGB3ITGA2BF2
SCHEMBL6237006 0.84 F10 (0.49) F10ITGB3ITGA2BF2
SCHEMBL6256276 0.84 F10 (0.47) F10ITGB3ITGA2BSMN1; SMN2F2
SCHEMBL6233749 0.83 F10 (0.53) F10ITGB3ITGA2BF2
SCHEMBL6238110 0.81 F10 (0.48) F10ITGB3ITGA2BF2

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