SCHEMBL631034

SCHEMBL631034

CNC(=O)[C@H](Cc1ccc(OC(C)C)cc1)NC(=O)O[C@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 1/20 0.44
BDKRB1 P46663 12/20 0.43
POLB P06746 1/20 0.43
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CACNA1B Q00975 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38

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
SCHEMBL631253 0.90 BDKRB1 (0.42) KCNQ1BDKRB1POLBCACNA1B
SCHEMBL1384581 0.89 POLB (0.52) KCNQ1BDKRB1POLBHCRTR1HCRTR2
SCHEMBL630359 0.89 POLB (0.52) KCNQ1BDKRB1POLBHCRTR1HCRTR2
SCHEMBL630823 0.84 KCNQ1 (0.49) KCNQ1BDKRB1POLBHCRTR1HCRTR2
SCHEMBL631181 0.83 LMNA (0.44) KCNQ1BDKRB1POLBHCRTR1HCRTR2
SCHEMBL630680 0.83 KCNQ1 (0.48) KCNQ1BDKRB1POLBHCRTR1HCRTR2
SCHEMBL631050 0.83 KCNQ1 (0.47) KCNQ1BDKRB1HCRTR1HCRTR2KMT2A
SCHEMBL630671 0.83 POLB (0.46) KCNQ1BDKRB1POLBHCRTR1HCRTR2
SCHEMBL631046 0.81 ITGB1 (0.53) KCNQ1BDKRB1POLBHCRTR1HCRTR2
SCHEMBL631047 0.81 ITGB1 (0.53) KCNQ1BDKRB1POLBHCRTR1HCRTR2

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