SCHEMBL6235320

SCHEMBL6235320

O=C1OC(CNC(O)=S)CN1c1ccc(N2CCNCC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.51
ITGB3 P05106 4/20 0.43
ITGA2B P08514 4/20 0.43
F2 P00734 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 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
SCHEMBL6254709 1.00 F10 (0.51) F10ITGB3ITGA2BF2OPRM1
SCHEMBL6241840 0.89 F10 (0.49) F10ITGB3ITGA2BOPRM1OPRL1
SCHEMBL6254704 0.88 F10 (0.54) F10ITGB3ITGA2BF2
SCHEMBL2088445 0.88 F10 (0.54) F10
SCHEMBL2088442 0.88 F10 (0.54) F10
SCHEMBL6233749 0.85 F10 (0.53) F10ITGB3ITGA2BF2
SCHEMBL6233491 0.85 F10 (0.55) F10ITGB3ITGA2BF2
SCHEMBL6233514 0.84 F10 (0.50) F10ITGB3ITGA2BF2
SCHEMBL6232244 0.83 F10 (0.48) F10ITGB3ITGA2BF2
SCHEMBL6238110 0.83 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 disclosed
WO-2004009587-A1 OXAZOLIDINONE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-01-29 WO disclosed