SCHEMBL7015355

SCHEMBL7015355

CCOC(=O)c1ccc(/C=C/C(=O)C(N)c2cccn2-c2ccc(Cl)c(CO)c2Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 7/20 0.37
RAB9A P51151 4/20 0.35
NPC1 O15118 2/20 0.35
PPARG P37231 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
PLA2G1B P04054 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
CLK1 P49759 1/20 0.32
CLK3 P49761 1/20 0.32
DYRK1A Q13627 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL7016580 0.86 BDKRB2 (0.40) BDKRB2
SCHEMBL7012781 0.86 BDKRB2 (0.46) BDKRB2
SCHEMBL7009643 0.85 BDKRB2 (0.38) BDKRB2PPARGMEN1KMT2ALMNA
SCHEMBL7013017 0.80 BDKRB2 (0.37) BDKRB2RAB9AMEN1KMT2APOLB
SCHEMBL7015356 0.80 BDKRB2 (0.56) BDKRB2
SCHEMBL7015358 0.80 BDKRB2 (0.56) BDKRB2
SCHEMBL7007333 0.79 BDKRB2 (0.46) BDKRB2
SCHEMBL7012066 0.79 BDKRB2 (0.47) BDKRB2RAB9ANPC1PPARGMEN1
SCHEMBL7667262 0.78 BDKRB2 (0.36) BDKRB2DYRK1A
SCHEMBL7013774 0.77 BDKRB2 (0.64) BDKRB2

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