SCHEMBL6233472

SCHEMBL6233472

CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)c4cc(-c5ccc([N+](=O)[O-])cc5)co4)CC3)nc2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.44
F10 P00742 2/20 0.41
MAOA P21397 4/20 0.41
MAOB P27338 2/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 1/20 0.41
ABCB11 O95342 1/20 0.40
POLB P06746 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TOP2B Q02880 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6255771 0.84 F10 (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL30536663 0.82 MEN1 (0.51) F10MAOAMAOBLMNAPTGS1
SCHEMBL29085031 0.80 F10 (0.49) F10MAOAMAOBLMNAPTGS1
SCHEMBL6236460 0.80 F10 (0.49) F10MAOAMAOBLMNAPTGS1
SCHEMBL6794116 0.78 MAOA (0.48) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8451193 0.77 MAOA (0.65) F10MAOAMAOBLMNAPTGS1
SCHEMBL8574856 0.77 MAOA (0.65) F10MAOAMAOBLMNAPTGS1
SCHEMBL6237098 0.77 F10 (0.56) F10MAOAMAOBLMNAPTGS1
SCHEMBL6239389 0.77 F10 (0.56) F10MAOAMAOBLMNAPTGS1
SCHEMBL9550300 0.76 MAOA (0.55) F10MAOAMAOBLMNAPTGS1

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