SCHEMBL7016100

SCHEMBL7016100

CNC(=O)c1ccc(/C=C/C(=O)NCc2sccc2-c2ccc(C)c(CO)c2C)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 14/20 0.66
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
NCOR2 Q9Y618 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7016097 1.00 BDKRB2 (0.66) BDKRB2ALDH1A1HPGDSMN1; SMN2RECQL
SCHEMBL7015850 0.92 BDKRB2 (0.65) BDKRB2ALDH1A1HPGDSMN1; SMN2RECQL
SCHEMBL7015847 0.92 BDKRB2 (0.65) BDKRB2ALDH1A1HPGDSMN1; SMN2RECQL
SCHEMBL7012869 0.82 BDKRB2 (0.64) BDKRB2HDAC3HDAC1HDAC2NCOR2
SCHEMBL7012866 0.82 BDKRB2 (0.64) BDKRB2HDAC3HDAC1HDAC2NCOR2
SCHEMBL7009008 0.80 BDKRB2 (0.49) BDKRB2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7008996 0.80 BDKRB2 (0.49) BDKRB2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7012818 0.80 BDKRB2 (1.00) BDKRB2
SCHEMBL7012815 0.80 BDKRB2 (1.00) BDKRB2
SCHEMBL7005668 0.76 BDKRB2 (0.39) BDKRB2ALDH1A1KDM4E

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