SCHEMBL6255771

SCHEMBL6255771

CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)nc2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.46
MAOA P21397 4/20 0.43
SLC2A1 P11166 4/20 0.43
MAOB P27338 2/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43
CALML3 P27482 1/20 0.43
SDHA P31040 1/20 0.43
ABCB11 O95342 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL6254889 0.91 F10 (0.45) F10SLC2A1LMNAPOLBPKM
SCHEMBL6275159 0.88 F10 (0.44) F10MAOAMAOBLMNAPTGS1
SCHEMBL7132802 0.86 F10 (0.45) F10MAOAMAOBLMNAPTGS1
SCHEMBL6239753 0.85 F10 (0.45) F10LMNAPOLBPKMKMT2A
SCHEMBL6233472 0.84 MGLL (0.44) F10MAOAMAOBLMNAPTGS1
SCHEMBL29085031 0.84 F10 (0.49) F10MAOAMAOBLMNAPTGS1
SCHEMBL6236460 0.84 F10 (0.49) F10MAOAMAOBLMNAPTGS1
SCHEMBL14448209 0.83 MAOB (0.65) F10MAOAMAOBLMNAPTGS1
SCHEMBL6237098 0.81 F10 (0.56) F10MAOAMAOBLMNAPTGS1
SCHEMBL6239389 0.81 F10 (0.56) 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