SCHEMBL198148

SCHEMBL198148

O=C(O)O[C@@]1(NC(=O)c2cnc3[nH]cnc3c2)CCOC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
HPGDS O60760 1/20 0.32
F2 P00734 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL200210 0.83 HTR2A (0.33) CYP4F2CYP4A11HPGDSHTT
SCHEMBL198147 0.81 CYP4F2 (0.38) CYP4F2CYP4A11HPGDSF2POLB
SCHEMBL2808309 0.81 CYP4F2 (0.38) CYP4F2CYP4A11HPGDSF2POLB
SCHEMBL14856639 0.78 VNN1 (0.37)
SCHEMBL14856727 0.77 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL14856657 0.77 KDM4E (0.45) CYP4F2CYP4A11POLB
SCHEMBL184727 0.77 HDAC3 (0.39)
SCHEMBL2787463 0.76 VNN1 (0.38)
SCHEMBL185596 0.76 VNN1 (0.38)
SCHEMBL185855 0.76 KDM4E (0.41)

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