SCHEMBL629653

SCHEMBL629653

Cc1ccc(C[C@@H](NC(=O)C2CCCCC2)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)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
L3MBTL1 Q9Y468 1/20 0.47
CNR1 P21554 1/20 0.47
KMT2A Q03164 2/20 0.46
BDKRB1 P46663 8/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46

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
SCHEMBL1383184 1.00 POLB (0.53) POLBKCNQ1L3MBTL1CNR1KMT2A
SCHEMBL631527 0.91 POLB (0.53) POLBKCNQ1L3MBTL1CNR1BDKRB1
SCHEMBL1384096 0.91 POLB (0.53) POLBKCNQ1L3MBTL1CNR1BDKRB1
SCHEMBL1381648 0.91 POLB (0.52) POLBKCNQ1L3MBTL1CNR1KMT2A
SCHEMBL1384648 0.91 POLB (0.52) POLBKCNQ1L3MBTL1CNR1KMT2A
SCHEMBL629859 0.89 BDKRB1 (0.44) POLBKCNQ1L3MBTL1CNR1KMT2A
SCHEMBL1381715 0.88 POLB (0.49) POLBKCNQ1L3MBTL1BDKRB1HCRTR1
SCHEMBL630149 0.88 POLB (0.49) POLBKCNQ1L3MBTL1BDKRB1HCRTR1
SCHEMBL1383786 0.87 FKBP1A (0.53) POLBL3MBTL1
SCHEMBL630215 0.87 FKBP1A (0.53) POLBL3MBTL1

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