SCHEMBL4592189

SCHEMBL4592189

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.37
BCL2A1 Q16548 2/20 0.36
GPR183 P32249 1/20 0.36
ADGRF1 Q5T601 1/20 0.36
GPR65 Q8IYL9 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 3/20 0.35
MAPT P10636 2/20 0.35
CYP3A4 P08684 1/20 0.35
BMP1 P13497 2/20 0.35
POLB P06746 2/20 0.35
RNF4 P78317 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
NPBWR1 P48145 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL4592610 0.94 C5AR1 (0.33) C5AR1BCL2A1GPR183ADGRF1GPR65
SCHEMBL4592145 0.93 BCL2A1 (0.41) C5AR1BCL2A1GPR183ADGRF1GPR65
SCHEMBL4592440 0.92 BCL2A1 (0.40) C5AR1BCL2A1GPR183ADGRF1GPR65
SCHEMBL4592138 0.91 CNR2 (0.34) TP53MAPTCYP3A4POLBTHRB
SCHEMBL4593125 0.90 BCL2A1 (0.43) BCL2A1SMN1; SMN2TP53MAPTPOLB
SCHEMBL4592219 0.89 MAPT (0.37) C5AR1GPR183ADGRF1GPR65SMN1; SMN2
SCHEMBL5050220 0.87 BCL2A1 (0.43) C5AR1BCL2A1GPR183ADGRF1GPR65
SCHEMBL4591412 0.85 GCGR (0.42) C5AR1CYP3A4ALDH1A1NPBWR1PDK1
SCHEMBL4591755 0.85 KDM4E (0.33) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4592510 0.85 CYP3A4 (0.39) BCL2A1SMN1; SMN2TP53MAPTCYP3A4

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