SCHEMBL3372083

SCHEMBL3372083

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4(C#N)C5COCC54)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.56
MAOB P27338 4/20 0.53
CALML3 P27482 4/20 0.53
PTGS1 P23219 2/20 0.53
SDHA P31040 2/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL13711498 1.00 MAOA (0.56) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL3370872 0.93 MAOA (0.55) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL14012431 0.93 MAOA (0.55) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL3367078 0.93 MAOA (0.56) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL13711601 0.93 MAOA (0.56) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL13711614 0.93 MAOA (0.47) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL3368656 0.93 MAOA (0.47) MAOAMAOBCALML3PTGS1SDHA
Hydrochloric Acid SCHEMBL3368923 0.93 MAOA (0.54) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL13335006 0.92 MAOA (0.56) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL13335261 0.92 MAOA (0.49) 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 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