SCHEMBL670664

SCHEMBL670664

COc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)CCCN4CCN(C(N)=O)CC4)c3Cl)cccc2n1Cc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 17/20 0.61

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
SCHEMBL10072514 0.95 BDKRB2 (0.64) BDKRB2
SCHEMBL10072956 0.94 BDKRB2 (0.61) BDKRB2
SCHEMBL10072588 0.91 BDKRB2 (0.63) BDKRB2
SCHEMBL10072589 0.91 BDKRB2 (0.63) BDKRB2
SCHEMBL659993 0.91 BDKRB2 (0.65) BDKRB2
SCHEMBL659379 0.90 BDKRB2 (0.62) BDKRB2
SCHEMBL10045543 0.89 BDKRB2 (0.61) BDKRB2
SCHEMBL10072371 0.89 BDKRB2 (0.63) BDKRB2
SCHEMBL10072590 0.89 BDKRB2 (0.65) BDKRB2
SCHEMBL670665 0.88 BDKRB2 (0.59) 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
WO-2012024419-A2 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ALCON RESEARCH, LTD. (US) 2012-02-23 WO disclosed