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SCHEMBL3369652

SCHEMBL3369652

CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC2C(c3ccc(-c4ccc(N5C[C@H](Cn6ccnn6)OC5=O)cc4F)cn3)C2(C#N)C1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 18/20 0.55
▸ CYP3A4 P08684 3/20 0.49
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48

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
SCHEMBL3369503 0.88 MAOA (0.56) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL3367294 0.83 MAOA (0.56) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL3368907 0.82 MAOA (0.47) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL3367150 0.81 MAOA (0.57) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL13711597 0.81 MAOA (0.63) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL3368491 0.81 MAOA (0.63) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL3369650 0.80 MAOA (0.56) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL3367003 0.79 MAOA (0.59) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL13711509 0.79 MAOA (0.59) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL13335002 0.78 MAOA (0.58) MAOACYP3A4CYP2D6CYP2C9

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
EP-1646629-B1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME (US) 2010-06-23 — — EP claimed