SCHEMBL186038

SCHEMBL186038

O=C(Cc1cccnc1)N[C@]1(OC(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.40
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
KDM1A O60341 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL185692 0.88 LMNA (0.39) LMNAHDAC1PTK2
SCHEMBL2805811 0.86 NAMPT (0.42) NAMPTGAALMNAGLAHSD17B10
SCHEMBL185629 0.80 POLB (0.36) GAALMNA
SCHEMBL185869 0.80 ALDH1A1 (0.35) LMNAPTK2SCD
SCHEMBL205144 0.79 CTDSP1 (0.32) GAA
SCHEMBL185812 0.79 POLB (0.34) PTK2
SCHEMBL186112 0.79 HDAC1 (0.39) HDAC1HDAC6CYP3A4PTK2
SCHEMBL186396 0.79 HPGD (0.40) LMNAGLA
SCHEMBL185726 0.79 GAA (0.42) GAALMNAHDAC1HDAC6PTK2
SCHEMBL186209 0.78 POLB (0.34) GAALMNA

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