SCHEMBL13110307

SCHEMBL13110307

O=C(CN1C[C@H](NC(=O)c2ccc(Cl)s2)C[C@H]1CN1CCCC1)Nc1ccc(-n2ccccc2=O)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 1.00

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
SCHEMBL13110483 0.94 F10 (0.88) F10
SCHEMBL8257847 0.91 F10 (1.00) F10
SCHEMBL8256277 0.91 F10 (0.89) F10
SCHEMBL8259024 0.91 F10 (0.84) F10
SCHEMBL8252849 0.91 F10 (0.83) F10
SCHEMBL13110485 0.89 F10 (0.84) F10
SCHEMBL8259990 0.89 F10 (1.00) F10
SCHEMBL13126308 0.88 F10 (0.83) F10
SCHEMBL8259617 0.88 F10 (0.83) F10
SCHEMBL3447810 0.87 F10 (0.81) F10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
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