SCHEMBL4592610

SCHEMBL4592610

CCc1c(N)cc(Cl)c(CC)c1NC(=O)N(Cc1ccc(OC)cc1)c1ccc(C(C)C)cc1.CCc1ccc(N(Cc2ccc(OC)cc2)C(=O)Nc2c(CC)c(N)cc(Cl)c2CC)cc1.CCc1ccc(N)c(CC)c1NC(=O)N(Cc1ccc(OC)cc1)c1ccc(C(C)C)cc1.COc1ccc(CN(C(=O)Nc2c(C(C)C)ccc(N)c2C(C)C)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.33
GPR183 P32249 1/20 0.33
ADGRF1 Q5T601 1/20 0.33
GPR65 Q8IYL9 1/20 0.33
SOAT1 P35610 2/20 0.33
BCL2A1 Q16548 2/20 0.33
TP53 P04637 3/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
BMP1 P13497 2/20 0.32
POLB P06746 2/20 0.32
THRB P10828 1/20 0.31
RNF4 P78317 1/20 0.31

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
SCHEMBL4592189 0.94 C5AR1 (0.37) C5AR1GPR183ADGRF1GPR65BCL2A1
SCHEMBL4592145 0.87 BCL2A1 (0.41) C5AR1GPR183ADGRF1GPR65BCL2A1
SCHEMBL4592440 0.86 BCL2A1 (0.40) C5AR1GPR183ADGRF1GPR65BCL2A1
SCHEMBL4592138 0.85 CNR2 (0.34) TP53MAPTCYP3A4POLBTHRB
SCHEMBL4592534 0.85 BCL2A1 (0.41) C5AR1GPR183ADGRF1GPR65SOAT1
SCHEMBL4593125 0.84 BCL2A1 (0.43) BCL2A1TP53MAPTSMN1; SMN2POLB
SCHEMBL4592219 0.83 MAPT (0.37) C5AR1GPR183ADGRF1GPR65TP53
SCHEMBL5050220 0.82 BCL2A1 (0.43) C5AR1GPR183ADGRF1GPR65BCL2A1
SCHEMBL4591412 0.80 GCGR (0.42) C5AR1CYP3A4
SCHEMBL4591755 0.79 KDM4E (0.33) MAPT

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 disclosed
WO-2006128670-A1 C5A RECEPTOR ANTAGONISTS JERINI AG (DE) 2006-12-07 WO disclosed