SCHEMBL3368324

SCHEMBL3368324

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4(C#N)C5CN(C(=O)OC(C)(C)C)CC54)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.50
CALML3 P27482 4/20 0.47
MAOB P27338 3/20 0.47
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
SDHA P31040 1/20 0.47
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL14012749 1.00 MAOA (0.50) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3371860 0.95 MAOA (0.44) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3366578 0.95 MAOA (0.45) MAOACALML3MAOBLMNAPTGS1
SCHEMBL13711583 0.94 MAOA (0.43) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3371931 0.93 MAOA (0.43) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3367996 0.93 MAOB (0.48) MAOACALML3MAOBLMNAPTGS1
SCHEMBL13334793 0.93 MAOA (0.43) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3370660 0.93 MAOA (0.43) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3368353 0.93 MAOA (0.43) MAOACALML3MAOBLMNAPTGS1
SCHEMBL13711618 0.93 MAOB (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646629-B1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME (US) 2010-06-23 EP disclosed
US-7582659-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2009-09-01 US disclosed
US-7462633-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2008-12-09 US disclosed