SCHEMBL3367287

SCHEMBL3367287

CC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(C4(C#N)C5CN(C(=O)OC(C)(C)C)CC54)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.44
MAOB P27338 4/20 0.44
PTGS1 P23219 2/20 0.44
SDHA P31040 2/20 0.44
LMNA P02545 1/20 0.44
CALML3 P27482 1/20 0.44
F10 P00742 1/20 0.36
ABCB11 O95342 1/20 0.36
TOP2B Q02880 1/20 0.36

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
SCHEMBL13711575 1.00 MAOA (0.44) MAOAMAOBPTGS1SDHALMNA
SCHEMBL14012749 0.93 MAOA (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3368324 0.93 MAOA (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3366199 0.90 ABCB11 (0.42) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13711574 0.90 ABCB11 (0.42) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13711568 0.88 MAOA (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13334913 0.88 MAOA (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3366992 0.88 MAOA (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13711534 0.88 GPR119 (0.35) MAOAMAOB
SCHEMBL13335261 0.88 MAOA (0.49) MAOAMAOBPTGS1SDHALMNA

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