SCHEMBL17760208

SCHEMBL17760208

CCc1ccc(CNCc2ccc(-c3ccc(N4C[C@H](CNC(C)=O)O4)cc3F)cc2)s1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.41
▸ MAOB P27338 2/20 0.38
▸ CALML3 P27482 5/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ SDHA P31040 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ F10 P00742 2/20 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
SCHEMBL1393326 0.87 MAOA (0.58) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL17760112 0.87 MAOA (0.42) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL17760457 0.85 MAOA (0.41) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL17760069 0.83 MAOA (0.41) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL17760465 0.80 MAOA (0.41) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL17760912 0.78 RAB9A (0.46) MAOALMNAF10
SCHEMBL17760212 0.78 MAOA (0.40) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL1395121 0.77 MAOA (0.56) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL1393467 0.76 MAOA (0.55) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL22261648 0.75 MAOA (0.40) MAOAMAOBCALML3PTGS1SDHA

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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