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SCHEMBL3703548

SCHEMBL3703548

CC(C(C(=O)Nc1cc(CC(C(=O)O)C(C)(C)C)ccc1F)c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.33
▸ PARP1 P09874 1/20 0.31

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
SCHEMBL3698389 0.90 ITGB3 (0.35) MAOBPARP1
SCHEMBL1178595 0.88 PTGES (0.35) MAOB
Bicarbonate SCHEMBL3690871 0.88 MAOB (0.33) MAOB
SCHEMBL3694433 0.87 PTGS2 (0.36) —
SCHEMBL3700948 0.87 MAOB (0.34) MAOB
SCHEMBL1178175 0.87 MAOB (0.33) MAOB
SCHEMBL1178374 0.86 MAOB (0.32) MAOB
SCHEMBL1178482 0.86 PTGS2 (0.40) —
SCHEMBL1177975 0.85 MAOB (0.31) MAOB
SCHEMBL1080491 0.83 SMN1; SMN2 (0.37) MAOB

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-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 — — EP disclosed