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SCHEMBL61659

SCHEMBL61659

CCc1cccc(CC)c1-c1nc(C)c(COc2cc(C(C)C)ccc2C)c(N2CCN(C(C)C(=O)O)C(C)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 4/20 0.37
▸ BCHE P06276 9/20 0.36
▸ ACHE P22303 9/20 0.36
▸ SLC6A9 P48067 2/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL62946 0.90 C5AR1 (0.43) C5AR1BCHEACHESLC6A9
SCHEMBL61870 0.87 C5AR1 (0.48) C5AR1BCHEACHE
SCHEMBL27666466 0.87 C5AR1 (0.36) C5AR1BCHEACHEMEN1KMT2A
SCHEMBL62043 0.87 BCHE (0.36) C5AR1BCHEACHEL3MBTL1HTT
SCHEMBL72814 0.87 C5AR1 (0.40) C5AR1BCHEACHEL3MBTL1
SCHEMBL62614 0.85 NOTUM (0.39) C5AR1BCHEACHEMEN1KMT2A
SCHEMBL61869 0.85 NOTUM (0.39) C5AR1BCHEACHEMEN1KMT2A
SCHEMBL3824019 0.85 NOTUM (0.39) C5AR1BCHEACHEMEN1KMT2A
SCHEMBL62829 0.85 C5AR1 (0.39) C5AR1BCHEACHEL3MBTL1HTT
SCHEMBL61648 0.85 BCHE (0.38) C5AR1BCHEACHEL3MBTL1HTT

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-8129395-B2 4,5-disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-03-06 — — US disclosed