SCHEMBL185855

SCHEMBL185855

Nc1cncc(C(=O)N[C@]2(OC(=O)O)CCOC2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
DDO Q99489 1/20 0.41
BDKRB1 P46663 1/20 0.34
HSD17B10 Q99714 1/20 0.32
DGAT2 Q96PD7 3/20 0.30
XDH P47989 1/20 0.30

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
SCHEMBL14856657 0.87 KDM4E (0.45) KDM4EALDH1A1HSD17B10DGAT2XDH
SCHEMBL2787463 0.84 VNN1 (0.38) BDKRB1DGAT2
SCHEMBL185596 0.84 VNN1 (0.38) BDKRB1DGAT2
SCHEMBL14856552 0.82 HTR2A (0.33) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL185854 0.81 KDM4E (0.45) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL2805627 0.81 KDM4E (0.45) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL186114 0.79 KDM4E (0.43) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL14856868 0.79 HDAC1 (0.45) KDM4E
SCHEMBL15988503 0.78 NAMPT (0.38) KDM4EALDH1A1
SCHEMBL14856727 0.78 CYP4F2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606042-B1 DISUBSTITUTED TETRAHYDROFURANYL COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
EP-2606042-A1 DISUBSTITUTED TETRAHYDOFURANYL COMPOUNDS AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
WO-2012022795-A1 DISUBSTITUTED TETRAHYDOFURANYL COMPOUNDS AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO 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