SCHEMBL3370772

SCHEMBL3370772

CC(C)(C)OC(=O)N1CC2C(C1)C2(C#N)c1ccc(-c2ccc(N3C[C@H](Cn4nncc4F)OC3=O)cc2F)cn1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 19/20 0.48
MAOB P27338 1/20 0.44
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL14012439 1.00 MAOA (0.48) MAOAMAOBCYP3A4CYP2C9
SCHEMBL14012755 0.91 MAOA (0.48) MAOAMAOBCYP3A4CYP2C9
SCHEMBL3368642 0.91 MAOA (0.48) MAOAMAOBCYP3A4CYP2C9
SCHEMBL13711597 0.89 MAOA (0.63) MAOACYP3A4CYP2C9
SCHEMBL3368491 0.89 MAOA (0.63) MAOACYP3A4CYP2C9
SCHEMBL3366574 0.89 MAOA (0.46) MAOAMAOBCYP3A4CYP2C9
SCHEMBL3366579 0.89 MAOA (0.46) MAOAMAOBCYP3A4CYP2C9
SCHEMBL3366585 0.89 MAOA (0.46) MAOAMAOBCYP3A4CYP2C9
SCHEMBL14012506 0.88 MAOA (0.50) MAOAMAOBCYP3A4CYP2C9
SCHEMBL3368200 0.88 MAOA (0.50) MAOAMAOBCYP3A4CYP2C9

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 4 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
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