SCHEMBL7013560

SCHEMBL7013560

Cc1ccc2cccc(OCc3c(C)ccc(-c4ccccc4C#N)c3C)c2n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 11/20 0.50
PLAU P00749 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7017870 0.82 BDKRB2 (0.57) BDKRB2MEN1KMT2APTGDR2KDM4E
SCHEMBL4600928 0.76 MEN1 (0.61) BDKRB2MEN1KMT2APTGDR2KDM4E
SCHEMBL6581462 0.76 BDKRB2 (0.58) BDKRB2MEN1KMT2APTGDR2KDM4E
SCHEMBL8719062 0.76 BDKRB2 (0.47) BDKRB2MEN1KMT2APTGDR2KDM4E
SCHEMBL7008792 0.75 BDKRB2 (0.47) BDKRB2MEN1KMT2APTGDR2KDM4E
SCHEMBL4601156 0.74 BDKRB2 (0.56) BDKRB2MEN1KMT2APTGDR2KDM4E
SCHEMBL14223844 0.73 BDKRB2 (0.55) BDKRB2MEN1KMT2APTGDR2KDM4E
SCHEMBL7011457 0.73 BDKRB2 (0.54) BDKRB2MEN1KMT2APTGDR2KDM4E
SCHEMBL4600159 0.73 BDKRB2 (0.54) BDKRB2MEN1KMT2APTGDR2KDM4E
SCHEMBL6581449 0.72 MEN1 (0.59) BDKRB2MEN1KMT2APTGDR2KDM4E

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-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
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed