SCHEMBL6235612

SCHEMBL6235612

CNC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)C(=O)O1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.53
F2 P00734 3/20 0.43
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
MAOB P27338 1/20 0.42

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
SCHEMBL6235614 1.00 F10 (0.53) F10F2ITGB3ITGA2BMAOB
SCHEMBL6239282 0.91 F10 (0.54) F10F2ITGB3ITGA2BMAOB
SCHEMBL6233491 0.90 F10 (0.55) F10F2ITGB3ITGA2BMAOB
SCHEMBL6237098 0.89 F10 (0.56) F10F2ITGB3ITGA2BMAOB
SCHEMBL6239389 0.89 F10 (0.56) F10F2ITGB3ITGA2BMAOB
SCHEMBL6241840 0.85 F10 (0.49) F10ITGB3ITGA2BMAOB
SCHEMBL6236028 0.85 F10 (0.53) F10F2ITGB3ITGA2BMAOB
SCHEMBL6236038 0.85 F10 (0.53) F10F2ITGB3ITGA2BMAOB
SCHEMBL6237032 0.84 F10 (0.52) F10F2ITGB3ITGA2BMAOB
SCHEMBL6233749 0.83 F10 (0.53) F10F2ITGB3ITGA2BMAOB

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