Sugi Predict

Sugi Predict / Compounds / SCHEMBL6152456

SCHEMBL6152456

SCHEMBL6152456

CCN(CC)CCOCc1ccccc1CCC1=C(C(=O)O)C(c2c(Cl)cccc2Cl)C(C(=O)O)=C(CC(=O)N2CCN(C3CC4CCC(C3)N4C)CC2)N1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 1/20 0.35
▸ CCR3 P51677 1/20 0.32

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
SCHEMBL6152315 0.96 BDKRB1 (0.35) BDKRB1
SCHEMBL6152848 0.94 BDKRB1 (0.36) BDKRB1CCR3
SCHEMBL6152847 0.94 BDKRB1 (0.36) BDKRB1CCR3
SCHEMBL6152310 0.94 BDKRB1 (0.36) BDKRB1CCR3
SCHEMBL6152832 0.91 CCR3 (0.33) BDKRB1CCR3
SCHEMBL6152716 0.91 CCR3 (0.33) BDKRB1CCR3
SCHEMBL6152430 0.90 CCR3 (0.34) BDKRB1CCR3
SCHEMBL6152263 0.90 CCR3 (0.32) BDKRB1CCR3
SCHEMBL6153216 0.89 CCR3 (0.32) BDKRB1CCR3
SCHEMBL6152510 0.88 POLB (0.33) BDKRB1CCR3

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
EP-1307449-B1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMA (JP) 2005-12-07 — — EP claimed
EP-1307449-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2003-05-07 — — EP disclosed
WO-2002012235-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2002-02-14 — — WO disclosed