SCHEMBL17760457

SCHEMBL17760457

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cc(C)oc4C)cc3)c(F)c2)O1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.41
▸ CALML3 P27482 7/20 0.36
▸ MAOB P27338 2/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ SDHA P31040 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CD274 Q9NZQ7 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
SCHEMBL17760465 0.90 MAOA (0.41) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393366 0.87 MAOA (0.58) MAOACALML3MAOBPTGS1SDHA
SCHEMBL17760112 0.87 MAOA (0.42) MAOACALML3MAOBPTGS1SDHA
SCHEMBL17760208 0.85 MAOA (0.41) MAOACALML3MAOBPTGS1SDHA
SCHEMBL17760069 0.81 MAOA (0.41) MAOACALML3MAOBPTGS1SDHA
SCHEMBL17760212 0.78 MAOA (0.40) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393772 0.78 MAOA (0.55) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393660 0.77 MAOA (0.56) MAOACALML3MAOBPTGS1SDHA
SCHEMBL17760912 0.77 RAB9A (0.46) MAOALMNA
SCHEMBL22261648 0.75 MAOA (0.40) MAOACALML3MAOBPTGS1SDHA

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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