SCHEMBL7017145

SCHEMBL7017145

CNC(=O)c1ccc(/C=C/C(=O)C(N)c2cccn2-c2ccc(Cl)c(CO)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 10/20 0.35
MMP2 P08253 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LTB4R Q15722 1/20 0.31
HDAC8 Q9BY41 2/20 0.31
ESR1 P03372 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL7014821 0.93 BDKRB2 (0.35) BDKRB2KDM4EALDH1A1HPGDNPC1
SCHEMBL7012781 0.82 BDKRB2 (0.46) BDKRB2
SCHEMBL7008334 0.81 BDKRB2 (0.59) BDKRB2
SCHEMBL7017148 0.80 BDKRB2 (0.51) BDKRB2HDAC8HDAC3HDAC4HDAC1
SCHEMBL7017146 0.80 BDKRB2 (0.51) BDKRB2HDAC8HDAC3HDAC4HDAC1
SCHEMBL7007333 0.79 BDKRB2 (0.46) BDKRB2
SCHEMBL8015022 0.78 BDKRB2 (0.56) BDKRB2
SCHEMBL7010474 0.73 BDKRB2 (0.39) BDKRB2
SCHEMBL7014823 0.73 BDKRB2 (0.51) BDKRB2HPGD
SCHEMBL7011427 0.73 BDKRB2 (0.37) 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 5 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-6127389-A TREATMENT OF HYPERTENSION, RENAL DISEASES, HEART FAILURE, HYPERTENSION, MENIERE'S DISEASE, PERIPHERAL AND CEREBRAL CIRCULATORY DISORDERS, CLIMACTERIC DISTURBANCE, RETINOCHOROIDAL CIRCULATORY DISORDERS, MYOCARDIAL ISCHEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-10-03 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