SCHEMBL8364666

SCHEMBL8364666

Cc1cc(C)c2cccc(OCc3c(C)cc(C)c(N(C)C(=O)CN4C(=O)c5ccccc5C4=O)c3C)c2n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 17/20 0.42
CYP3A4 P08684 1/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL8367798 0.89 BDKRB2 (0.51) BDKRB2
SCHEMBL8364329 0.84 BDKRB2 (0.44) BDKRB2CYP3A4
SCHEMBL8367618 0.83 BDKRB2 (0.43) BDKRB2CYP3A4GAAPOLB
SCHEMBL8810603 0.78 BDKRB2 (0.39) BDKRB2CYP3A4RXFP1
SCHEMBL7749582 0.78 BDKRB2 (0.51) BDKRB2
SCHEMBL6643730 0.77 BDKRB2 (0.56) BDKRB2
SCHEMBL6643996 0.77 BDKRB2 (0.58) BDKRB2
SCHEMBL6642693 0.76 BDKRB2 (0.58) BDKRB2
SCHEMBL8367347 0.76 BDKRB2 (0.57) BDKRB2
SCHEMBL6645090 0.75 POLB (0.43) GAATDP1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 WO disclosed