SCHEMBL7013017

SCHEMBL7013017

NC(C(=O)/C=C/c1ccc(C(=O)Nc2ccncc2)cc1)c1cccn1-c1ccc(Cl)c(CO)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 11/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SNCA P37840 1/20 0.37
NT5E P21589 1/20 0.36
AGTR1 P30556 1/20 0.36
RAB9A P51151 1/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
POLB P06746 1/20 0.35
STAT3 P40763 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7012781 0.87 BDKRB2 (0.46) BDKRB2
SCHEMBL7667262 0.84 BDKRB2 (0.36) BDKRB2ROCK2ROCK1
SCHEMBL7012066 0.84 BDKRB2 (0.47) BDKRB2KMT2AMEN1RAB9APOLB
SCHEMBL7016580 0.82 BDKRB2 (0.40) BDKRB2
SCHEMBL7013021 0.82 BDKRB2 (0.55) BDKRB2SMN1; SMN2
SCHEMBL7013019 0.82 BDKRB2 (0.55) BDKRB2SMN1; SMN2
SCHEMBL7015355 0.80 BDKRB2 (0.37) BDKRB2KMT2AMEN1RAB9APOLB
SCHEMBL7011998 0.78 BDKRB2 (0.67) BDKRB2
SCHEMBL7012068 0.78 BDKRB2 (0.47) BDKRB2KMT2AMEN1RAB9APOLB
SCHEMBL7011946 0.77 BDKRB2 (0.67) 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 4 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-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