SCHEMBL7012873

SCHEMBL7012873

CNC(=O)c1ccc(C=CC(=O)NCc2sccc2-c2cc(CO[SiH](c3ccccc3)c3ccccc3)c(C)c(C(C)(C)C)c2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 9/20 0.48
HDAC3 O15379 6/20 0.36
HDAC1 Q13547 6/20 0.36
HDAC2 Q92769 6/20 0.36
NCOR2 Q9Y618 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
RECQL P46063 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL8719999 0.89 BDKRB2 (0.46) BDKRB2HDAC3HDAC1HDAC2NCOR2
SCHEMBL7014780 0.86 BDKRB2 (0.38) BDKRB2ALDH1A1
SCHEMBL7015727 0.84 METAP2 (0.32)
SCHEMBL7005487 0.76
SCHEMBL7010795 0.74 BDKRB2 (0.39) BDKRB2HDAC3HDAC1HDAC2NCOR2
SCHEMBL7012866 0.72 BDKRB2 (0.64) BDKRB2HDAC3HDAC1HDAC2NCOR2
SCHEMBL7012869 0.72 BDKRB2 (0.64) BDKRB2HDAC3HDAC1HDAC2NCOR2
SCHEMBL7008381 0.72 BDKRB2 (0.39) BDKRB2HDAC3HDAC1HDAC2NCOR2
SCHEMBL7016635 0.71 TRPV1 (0.42) BDKRB2ALDH1A1HPGDSMN1; SMN2MMP1
SCHEMBL8719997 0.70 BDKRB2 (0.49) BDKRB2HDAC3HDAC1HDAC2NCOR2

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 8 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
EP-0879233-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-25 EP disclosed
WO-1997028153-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-07 WO disclosed