SCHEMBL17760184

SCHEMBL17760184

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNS(=O)(=O)CCN4C(=O)c5ccccc5C4=O)cc3)c(F)c2)O1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.38
▸ CALML3 P27482 4/20 0.35
▸ MAOB P27338 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ SDHA P31040 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MIF P14174 1/20 0.33

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
SCHEMBL1394416 0.89 MAOA (0.53) MAOACALML3MAOBLMNAPTGS1
SCHEMBL17760212 0.87 MAOA (0.40) MAOACALML3MAOBLMNAPTGS1
SCHEMBL17760112 0.78 MAOA (0.42) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6092601 0.77 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6090906 0.77 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1394909 0.77 MAOA (0.56) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3165839 0.76 MAOA (0.59) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3165833 0.76 MAOA (0.59) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6092593 0.75 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL17760465 0.74 MAOA (0.41) MAOACALML3MAOBLMNAPTGS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016077818-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION MELINTA THERAPEUTICS, INC. (US) 2016-05-19 — — WO disclosed
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