SCHEMBL630235

SCHEMBL630235

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.44
POLB P06746 1/20 0.40
KCNQ1 P51787 1/20 0.40
RORC P51449 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL630149 0.89 POLB (0.49) BDKRB1POLBKCNQ1L3MBTL1ITGAV
SCHEMBL1381715 0.89 POLB (0.49) BDKRB1POLBKCNQ1L3MBTL1ITGAV
SCHEMBL629859 0.87 BDKRB1 (0.44) BDKRB1POLBKCNQ1KMT2AL3MBTL1
SCHEMBL629653 0.76 POLB (0.53) BDKRB1POLBKCNQ1KMT2AL3MBTL1
SCHEMBL1383184 0.76 POLB (0.53) BDKRB1POLBKCNQ1KMT2AL3MBTL1
SCHEMBL631251 0.75 ALDH1A1 (0.49) L3MBTL1
SCHEMBL631034 0.75 KCNQ1 (0.44) BDKRB1POLBKCNQ1MEN1KMT2A
SCHEMBL8266730 0.75 POLB (0.48) BDKRB1POLBKCNQ1ITGAV
SCHEMBL1384096 0.74 POLB (0.53) BDKRB1POLBKCNQ1L3MBTL1
SCHEMBL631527 0.74 POLB (0.53) BDKRB1POLBKCNQ1L3MBTL1

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