SCHEMBL185234

SCHEMBL185234

COc1ccc(OC(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3)CCOC2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
ATM Q13315 2/20 0.35
LMNA P02545 4/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
BDKRB1 P46663 1/20 0.32
MYC P01106 1/20 0.32

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
SCHEMBL2808927 0.90 LMNA (0.39) GAAATMLMNAKDM4ESMN1; SMN2
SCHEMBL186353 0.86 NAMPT (0.37) ALDH1A1CTDSP1FAAHTRPV1MEN1
SCHEMBL186660 0.85 CNR2 (0.36) GAAATMLMNAALDH1A1MAPT
SCHEMBL2812345 0.85 POLB (0.43) GAALMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL185703 0.83 FAAH (0.37) GAAHPGDCTDSP1FAAHTRPV1
SCHEMBL185942 0.83 FAAH (0.38) GAAHTTCTDSP1FAAHTRPV1
SCHEMBL186557 0.82 FAAH (0.37) ALDH1A1HTTCTDSP1FAAHTRPV1
SCHEMBL185068 0.82 P2RX7 (0.34) LMNAKDM4ECTDSP1FAAHTRPV1
SCHEMBL2809237 0.82 GAA (0.44) GAAATMLMNAALDH1A1MAPT
SCHEMBL2806528 0.82 HPGD (0.41) ATMLMNAKDM4ESMN1; SMN2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed