SCHEMBL186105

SCHEMBL186105

O=C1CCC(C(=O)N[C@]2(OC(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3)CCOC2)C1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.33
POLB P06746 4/20 0.33
EPHX2 P34913 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
P2RX7 Q99572 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31
ITGA4 P13612 1/20 0.31
PTK2 Q05397 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL185988 0.95 P2RX7 (0.33) POLBHTTRECQLNFKB1NFKB2
SCHEMBL185812 0.88 POLB (0.34) POLBEPHX2HTTRECQLCTDSP1
SCHEMBL2806170 0.86 CTDSP1 (0.35) RAB9APOLBEPHX2HTTRECQL
SCHEMBL186209 0.85 POLB (0.34) POLBEPHX2HTTRECQLCTDSP1
SCHEMBL2808619 0.81 CTDSP1 (0.35) POLBHTTRECQLNFKB1NFKB2
SCHEMBL185629 0.80 POLB (0.36) RAB9APOLBEPHX2P2RX7CTDSP1
SCHEMBL185869 0.80 ALDH1A1 (0.35) RAB9APOLBHTTCTDSP1PTK2
SCHEMBL185726 0.79 GAA (0.42) RAB9APOLBEPHX2PTK2LMNA
SCHEMBL185692 0.79 LMNA (0.39) RAB9APOLBEPHX2P2RX7PTK2
SCHEMBL186112 0.79 HDAC1 (0.39) RAB9APOLBPTK2CYP1A2

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