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SCHEMBL4591758

SCHEMBL4591758

CCc1c(N)cc(Cl)c(CC)c1NC(=O)N(CC1CCCCC1)c1ccc(C(C)C)cc1.CCc1c(N)cc(Cl)c(CC)c1NC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)c1ccc(C(C)C)cc1.CCc1c(N)cc(Cl)c(CC)c1NC(=O)N(Cc1ccccc1OC)c1ccc(C(C)C)cc1.CCc1ccc(N)c(CC)c1NC(=O)N(CC1CCCCC1)c1ccc(C(C)C)cc1.CCc1ccc(N)c(CC)c1NC(=O)N(Cc1ccc(OC)cc1F)c1ccc(C(C)C)cc1.CCc1ccc(N)c(CC)c1NC(=O)N(Cc1ccccc1OC)c1ccc(C(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 3/20 0.34
▸ C5AR1 P21730 2/20 0.32
▸ GPR183 P32249 1/20 0.32
▸ ADGRF1 Q5T601 1/20 0.32
▸ GPR65 Q8IYL9 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ CTSD P07339 1/20 0.31
▸ PTGES O14684 1/20 0.30
▸ TAS2R14 Q9NYV8 1/20 0.30

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
SCHEMBL4591774 0.89 CTSD (0.34) C5AR1GPR183ADGRF1GPR65PSEN1
SCHEMBL4592387 0.85 CTSD (0.37) C5AR1GPR183ADGRF1GPR65PSEN1
SCHEMBL4591755 0.80 KDM4E (0.33) PTGES
SCHEMBL4592456 0.79 PTK2 (0.35) C5AR1GPR183ADGRF1GPR65LMNA
SCHEMBL4592189 0.77 C5AR1 (0.37) C5AR1GPR183ADGRF1GPR65
SCHEMBL4592809 0.77 MEN1 (0.35) PTGES
SCHEMBL4592692 0.77 PTK2 (0.37) C5AR1GPR183ADGRF1GPR65LMNA
SCHEMBL4591584 0.76 CNR2 (0.37) RORC
SCHEMBL4592857 0.75 EPHX1 (0.39) —
SCHEMBL5049244 0.75 MEN1 (0.37) PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885691-A1 C5A RECEPTOR ANTAGONISTS Jerini AG (DE) 2008-02-13 — — EP claimed
WO-2006128670-A1 C5A RECEPTOR ANTAGONISTS JERINI AG (DE) 2006-12-07 — — WO claimed