SCHEMBL7743007

SCHEMBL7743007

CCc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc(C#N)c4)c3Cl)c2n1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 18/20 0.67

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
SCHEMBL7839003 0.92 BDKRB2 (0.71) BDKRB2
Hydrochloric Acid SCHEMBL7748582 0.91 BDKRB2 (0.71) BDKRB2
SCHEMBL7747764 0.89 BDKRB2 (0.65) BDKRB2
Hydrochloric Acid SCHEMBL7749643 0.89 BDKRB2 (0.66) BDKRB2
SCHEMBL8801976 0.83 BDKRB2 (0.70) BDKRB2
SCHEMBL7750124 0.81 BDKRB2 (0.66) BDKRB2
SCHEMBL7749675 0.81 BDKRB2 (0.66) BDKRB2
SCHEMBL7747335 0.81 BDKRB2 (0.68) BDKRB2
SCHEMBL7747801 0.81 BDKRB2 (0.76) BDKRB2
SCHEMBL7742960 0.81 BDKRB2 (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6169095-B1 FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES IN THE EYE, SUCH AS ALLERGY, INFLAMMATION AND PAIN OF THE EYE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed