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Sugi Predict / Compounds / SCHEMBL13711516

SCHEMBL13711516

SCHEMBL13711516

CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3[C@H](C2)[C@@]3(C#N)c2ccc(-c3ccc(N4CC(n5ccnn5)OC4=O)cc3F)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 18/20 0.43
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL14012507 0.90 MAOA (0.56) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL3369003 0.90 MAOA (0.56) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL13711631 0.86 MAOA (0.48) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL13711576 0.85 MAOA (0.47) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL13711588 0.83 MAOA (0.40) MAOACYP3A4
SCHEMBL13711570 0.83 MAOA (0.40) MAOACYP3A4CYP2C9
SCHEMBL13711597 0.82 MAOA (0.63) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL3368491 0.82 MAOA (0.63) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL13711513 0.82 MAOA (0.40) MAOACYP3A4CYP2C9
SCHEMBL13711599 0.82 MAOA (0.49) MAOACYP3A4CYP2C9CYP2D6

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
US-7582659-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2009-09-01 — — US disclosed