SCHEMBL6258702

SCHEMBL6258702

CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)c4cnccn4)CC3)nc2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.47
MAOA P21397 4/20 0.46
MAOB P27338 2/20 0.45
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
CALML3 P27482 1/20 0.45
SDHA P31040 1/20 0.45
ABCB11 O95342 1/20 0.44
NAMPT P43490 1/20 0.41
GBA1 P04062 1/20 0.41
CYP3A4 P08684 1/20 0.40
TOP2B Q02880 1/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 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
SCHEMBL6235173 0.93 F10 (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL6254766 0.92 F10 (0.47) F10MAOAMAOBLMNAPTGS1
SCHEMBL6239516 0.91 F10 (0.47) F10NAMPTGBA1CYP3A4ITGB3
SCHEMBL6240315 0.86 F10 (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL14448234 0.85 MAOB (0.66) F10MAOAMAOBLMNAPTGS1
SCHEMBL6827508 0.85 F10 (0.47) F10MAOAMAOBLMNAPTGS1
SCHEMBL6239389 0.84 F10 (0.56) F10MAOAMAOBLMNAPTGS1
SCHEMBL6237098 0.84 F10 (0.56) F10MAOAMAOBLMNAPTGS1
SCHEMBL6240793 0.84 F10 (0.47) F10MAOAMAOBLMNAPTGS1
SCHEMBL6260687 0.84 F10 (0.46) F10CALML3ITGB3ITGA2B

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