SCHEMBL186114

SCHEMBL186114

C[C@]1(NC(=O)c2cncc(N)c2)CCOC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
DDO Q99489 1/20 0.43
ABL1 P00519 4/20 0.39
BDKRB1 P46663 1/20 0.36
HSD17B10 Q99714 1/20 0.35
DGAT2 Q96PD7 3/20 0.34
GABRA1 P14867 3/20 0.34
BACE1 P56817 2/20 0.33
CYP1A2 P05177 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
SCHEMBL185854 0.83 KDM4E (0.45) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL2805627 0.83 KDM4E (0.45) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL2787773 0.82 VNN1 (0.41) ABL1BDKRB1GABRA1BACE1CYP1A2
SCHEMBL185748 0.82 VNN1 (0.41) ABL1BDKRB1GABRA1BACE1CYP1A2
SCHEMBL11984274 0.80 BDKRB1 (0.39) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL185855 0.79 KDM4E (0.41) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL12473747 0.75 ABL1 (0.34) ABL1GABRA1CYP1A2
SCHEMBL10070601 0.75 SPHK1 (0.37) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL14856552 0.73 HTR2A (0.33) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL185219 0.73 KDM4E (0.53) KDM4EMEN1ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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