SCHEMBL17760907

SCHEMBL17760907

C=C1O[C@@H](CNC(C)=O)CN1c1ccc(-c2ccc(CN3CCN(CC(N)=O)CC3)cc2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.46
▸ CALML3 P27482 5/20 0.45
▸ MAOB P27338 3/20 0.45
▸ PTGS1 P23219 2/20 0.45
▸ SDHA P31040 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MCHR1 Q99705 1/20 0.38

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
SCHEMBL1394095 0.91 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL18402993 0.83 MAOA (0.38) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393486 0.83 MAOA (0.53) MAOACALML3MAOBPTGS1SDHA
SCHEMBL13438313 0.82 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL3182633 0.82 MAOA (0.61) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1394333 0.82 MAOA (0.61) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393378 0.82 MAOA (0.61) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393933 0.81 MAOA (0.58) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393940 0.81 MAOA (0.60) MAOACALML3MAOBPTGS1SDHA
SCHEMBL3181230 0.81 MAOA (0.60) 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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