SCHEMBL7017148

SCHEMBL7017148

CNC(=O)c1ccc(/C=C/C(=O)NCc2cccn2-c2ccc(Cl)c(CO)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 17/20 0.51
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL7017146 1.00 BDKRB2 (0.51) BDKRB2HDAC3HDAC1HDAC2HDAC4
SCHEMBL7014823 0.93 BDKRB2 (0.51) BDKRB2
SCHEMBL7014829 0.93 BDKRB2 (0.51) BDKRB2
SCHEMBL7013737 0.84 BDKRB2 (0.50) BDKRB2
SCHEMBL7013738 0.84 BDKRB2 (0.50) BDKRB2
SCHEMBL7012784 0.82 BDKRB2 (0.67) BDKRB2
SCHEMBL7012786 0.82 BDKRB2 (0.67) BDKRB2
SCHEMBL8552445 0.81 BDKRB2 (0.58) BDKRB2
SCHEMBL7008339 0.81 BDKRB2 (0.76) BDKRB2
SCHEMBL7008335 0.81 BDKRB2 (0.76) 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