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SCHEMBL4554682

SCHEMBL4554682

COCCn1c(-c2ccc(C(C)C)cc2)nc2c(Br)c(CNC(=O)C(N)(c3ccccc3CCS(C)(=O)=O)c3ccccc3NCc3cc(OC)c4c(nc(-c5ccc(C(C)C)cc5)n4CCOC)c3Br)cc(OC)c21

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 20/20 0.53

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
SCHEMBL2500695 0.88 CASR (0.65) CASR
SCHEMBL2495814 0.81 CASR (0.69) CASR
SCHEMBL2497140 0.80 CASR (0.66) CASR
SCHEMBL2495131 0.80 CASR (0.67) CASR
SCHEMBL2498145 0.79 CASR (0.67) CASR
SCHEMBL2500660 0.79 CASR (0.68) CASR
SCHEMBL2498817 0.77 CASR (0.70) CASR
SCHEMBL2498635 0.76 CASR (0.77) CASR
SCHEMBL2499413 0.74 CASR (0.77) CASR
SCHEMBL2494178 0.74 CASR (0.67) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709006-A1 BENZIMIDAZOLE DERIVATIVES Novartis AG (CH) 2006-10-11 — — EP claimed
WO-2005068433-A9 BENZIMIDAZOLE DERIVATIVES NOVARTIS AG (CH) 2005-09-15 — — WO claimed
WO-2005068433-A1 BENZIMIDAZOLE DERIVATIVES NOVARTIS AG (CH) 2005-07-28 — — WO claimed
EP-2124893-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A CALCILYTIC AGENT Novartis AG (CH) 2009-12-02 — — EP disclosed
WO-2008107390-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A CALCILYTIC AGENT NOVARTIS AG (CH) 2008-09-12 — — WO disclosed
WO-2005068433-A9 BENZIMIDAZOLE DERIVATIVES NOVARTIS AG (CH) 2005-09-15 — — WO disclosed