SCHEMBL17760112

SCHEMBL17760112

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccc(Cl)cc4)cc3)c(F)c2)O1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.42
▸ MCHR1 Q99705 1/20 0.39
▸ CALML3 P27482 3/20 0.39
▸ MAOB P27338 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SDHA P31040 1/20 0.39
▸ F10 P00742 2/20 0.38
▸ MALT1 Q9UDY8 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL17760457 0.87 MAOA (0.41) MAOACALML3MAOBLMNAPTGS1
SCHEMBL17760208 0.87 MAOA (0.41) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1393295 0.86 MAOA (0.60) MAOACALML3MAOBLMNAPTGS1
SCHEMBL17760069 0.85 MAOA (0.41) MAOACALML3MAOBLMNAPTGS1
SCHEMBL17760465 0.83 MAOA (0.41) MAOACALML3MAOBLMNAPTGS1
SCHEMBL17760212 0.81 MAOA (0.40) MAOACALML3MAOBLMNAPTGS1
SCHEMBL17760912 0.80 RAB9A (0.46) MAOALMNAF10
SCHEMBL1394034 0.79 MAOA (0.55) MAOACALML3MAOBLMNAPTGS1
SCHEMBL22261648 0.79 MAOA (0.40) MAOACALML3MAOBLMNAPTGS1
SCHEMBL17760184 0.78 MAOA (0.38) 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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