SCHEMBL185869

SCHEMBL185869

O=C(NCc1ccc(Nc2ccccc2C(F)(F)F)cc1)O[C@@]1(NC(=O)c2cc(O)cc(O)c2)CCOC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
MT-CO2 P00403 1/20 0.35
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
PTK2 Q05397 2/20 0.34
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
XBP1 P17861 1/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
MYC P01106 1/20 0.33
MAX P61244 1/20 0.33
CBR1 P16152 1/20 0.33

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
SCHEMBL186112 0.94 HDAC1 (0.39) ALDH1A1POLBMT-CO2RAB9ANPC1
SCHEMBL185723 0.90 KCNH2 (0.41) ALDH1A1POLBSMN1; SMN2KMT2AMAPT
SCHEMBL185726 0.87 GAA (0.42) ALDH1A1POLBRAB9ANPC1LMNA
SCHEMBL185326 0.87 KMT2A (0.41) ALDH1A1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2810328 0.85 BDKRB1 (0.37) ALDH1A1POLBMT-CO2RAB9ANPC1
SCHEMBL186396 0.84 HPGD (0.40) POLBSMN1; SMN2LMNAMAPTHPGD
SCHEMBL185629 0.83 POLB (0.36) ALDH1A1POLBRAB9ANPC1SMN1; SMN2
SCHEMBL185812 0.82 POLB (0.34) POLBSMN1; SMN2PTK2HTTCTDSP1
SCHEMBL185692 0.81 LMNA (0.39) ALDH1A1POLBRAB9ANPC1SMN1; SMN2
SCHEMBL186209 0.80 POLB (0.34) ALDH1A1POLBSMN1; SMN2LMNAKMT2A

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