SCHEMBL7005682

SCHEMBL7005682

CCCC(=O)NCc1cccn1-c1ccc(Cl)c(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
BDKRB2 P30411 4/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 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
SCHEMBL7015070 0.81
SCHEMBL7654580 0.77 BDKRB2 (0.50) KDM4EBDKRB2ALDH1A1
SCHEMBL7005681 0.74 BDKRB2 (0.40) KDM4EGAABDKRB2CYP3A4CYP2C19
SCHEMBL7016733 0.74
SCHEMBL7008371 0.73 CNR2 (0.40) KDM4EGAABDKRB2CYP3A4CYP2C19
SCHEMBL7008458 0.73
SCHEMBL7008980 0.70 BDKRB2 (0.40) BDKRB2CYP3A4CYP2C19L3MBTL1HTT
SCHEMBL8719659 0.69 BDKRB2 (0.38) BDKRB2
SCHEMBL7012849 0.68 BDKRB2 (0.40) KDM4EGAABDKRB2CYP3A4CYP2C19
SCHEMBL7012852 0.68 MTNR1B (0.33) KDM4EGAACYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861243-B1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-12 EP disclosed
US-6344462-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-05 US disclosed
US-6100284-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-08 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed