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SCHEMBL631527

SCHEMBL631527

Cc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)NC2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ KCNQ1 P51787 1/20 0.49
▸ BDKRB1 P46663 11/20 0.45
▸ HCRTR1 O43613 4/20 0.45
▸ HCRTR2 O43614 4/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1384096 1.00 POLB (0.53) POLBKCNQ1BDKRB1HCRTR1HCRTR2
SCHEMBL629653 0.91 POLB (0.53) POLBKCNQ1BDKRB1HCRTR1HCRTR2
SCHEMBL1383184 0.91 POLB (0.53) POLBKCNQ1BDKRB1HCRTR1HCRTR2
SCHEMBL1381648 0.90 POLB (0.52) POLBKCNQ1BDKRB1HCRTR1HCRTR2
SCHEMBL1384648 0.90 POLB (0.52) POLBKCNQ1BDKRB1HCRTR1HCRTR2
SCHEMBL630124 0.88 POLB (0.51) POLBKCNQ1BDKRB1HCRTR1HCRTR2
SCHEMBL1381571 0.87 FKBP1A (0.52) POLBL3MBTL1
SCHEMBL1381715 0.86 POLB (0.49) POLBKCNQ1BDKRB1HCRTR1HCRTR2
SCHEMBL630149 0.86 POLB (0.49) POLBKCNQ1BDKRB1HCRTR1HCRTR2
SCHEMBL13207012 0.83 POLB (0.50) POLBKCNQ1BDKRB1HCRTR1HCRTR2

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-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 — — EP claimed