SCHEMBL7012073

SCHEMBL7012073

O=C(/C=C/c1ccc(C(=O)NCc2ccccn2)cc1)NCc1cccn1-c1ccc(Cl)c(CO)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 10/20 0.63
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL7012069 1.00 BDKRB2 (0.63) BDKRB2KMT2ALMNAKDM4EALDH1A1
SCHEMBL7012077 0.94 BDKRB2 (0.63) BDKRB2KMT2ALMNAKDM4EALDH1A1
SCHEMBL7012071 0.94 BDKRB2 (0.63) BDKRB2KMT2ALMNAKDM4EALDH1A1
SCHEMBL7012786 0.86 BDKRB2 (0.67) BDKRB2
SCHEMBL7012784 0.86 BDKRB2 (0.67) BDKRB2
SCHEMBL7008192 0.85 BDKRB2 (0.62) BDKRB2KMT2ALMNAKDM4EALDH1A1
SCHEMBL7008188 0.85 BDKRB2 (0.62) BDKRB2KMT2ALMNAKDM4EALDH1A1
SCHEMBL7013021 0.85 BDKRB2 (0.55) BDKRB2
SCHEMBL7013019 0.85 BDKRB2 (0.55) BDKRB2
SCHEMBL7012066 0.84 BDKRB2 (0.47) BDKRB2KMT2ALMNAKDM4EALDH1A1

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-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-6015818-A TREATING KIDNEY, BRAIN, AND CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-18 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed