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SCHEMBL7044470

SCHEMBL7044470

CCOc1cc(N(NC(=O)CC(=O)c2cccc(-c3ccnc(C4CC4)c3)c2)C(=O)OC(C)(C)C)ccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 7/20 0.35
▸ SYK P43405 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ ACACA Q13085 1/20 0.32
▸ AAK1 Q2M2I8 3/20 0.32
▸ SCD O00767 1/20 0.30
▸ UGCG Q16739 1/20 0.30

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
SCHEMBL5564226 0.80 AAK1 (0.39) GRM2ACACBACACAAAK1
SCHEMBL7112784 0.80 SCN5A (0.35) SYK
SCHEMBL5563061 0.80 BRAF (0.40) —
SCHEMBL7047983 0.79 AAK1 (0.33) SYKAAK1
SCHEMBL7044468 0.78 GRM2 (0.35) GRM2AAK1
SCHEMBL5562067 0.78 AAK1 (0.36) GRM2AAK1UGCG
SCHEMBL5557609 0.78 AAK1 (0.38) GRM2ACACBACACAAAK1
SCHEMBL7109630 0.76 CSF1R (0.38) AAK1
SCHEMBL5563264 0.75 AAK1 (0.41) ACACBACACAAAK1UGCG
SCHEMBL7113350 0.75 RXRA (0.40) —

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
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 — — EP disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — WO disclosed