SCHEMBL6237028

SCHEMBL6237028

O=C(S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)N4CCC(N5CCCCC5)CC4)CC3)nc2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.48
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
F2 P00734 2/20 0.38

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 0.91 F10 (0.48) F10HRH3ALDH1A1HPGDSMN1; SMN2
SCHEMBL6237040 0.91 F10 (0.48) F10HRH3ALDH1A1HPGDSMN1; SMN2
SCHEMBL6239815 0.85 F10 (0.49) F10ALDH1A1HPGDITGB3ITGA2B
SCHEMBL6233514 0.83 F10 (0.50) F10ALDH1A1HPGDSMN1; SMN2ITGB3
SCHEMBL6254704 0.80 F10 (0.54) F10ITGB3ITGA2BF2
SCHEMBL6235172 0.78 F10 (0.47) F10ALDH1A1HPGDSMN1; SMN2ITGB3
SCHEMBL6237438 0.76 F10 (0.49) F10ALDH1A1HPGDSMN1; SMN2
SCHEMBL6237443 0.76 F10 (0.49) F10ALDH1A1HPGDSMN1; SMN2
SCHEMBL6239827 0.76 F10 (0.48) F10ALDH1A1HPGDSMN1; SMN2ITGB3
SCHEMBL6239834 0.76 F10 (0.48) F10ALDH1A1HPGDSMN1; SMN2ITGB3

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