SCHEMBL4592437

SCHEMBL4592437

C#Cc1ccc(N(Cc2ccc(OC)cc2)C(=O)Nc2c(CC)c(N)cc(Cl)c2CC)cc1.CCc1c(N)cc(Cl)c(CC)c1NC(=O)N(c1ccc(C(C)C)cc1)C1CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.39
GPR183 P32249 1/20 0.39
ADGRF1 Q5T601 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
TP53 P04637 2/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 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
SCHEMBL4592414 0.84 TRPM8 (0.34) HTTALDH1A1
SCHEMBL4592935 0.83 BCL2A1 (0.40) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL4592145 0.82 BCL2A1 (0.41) C5AR1GPR183ADGRF1GPR65DRD2
SCHEMBL4592271 0.80 RAB9A (0.40) C5AR1GPR183ADGRF1GPR65HTT
SCHEMBL4592274 0.80 RAB9A (0.40) C5AR1GPR183ADGRF1GPR65HTT
SCHEMBL4592302 0.80 RAB9A (0.40) C5AR1GPR183ADGRF1GPR65HTT
SCHEMBL4592189 0.77 C5AR1 (0.37) C5AR1GPR183ADGRF1GPR65DRD2
SCHEMBL4591647 0.76 GCGR (0.34) CYP3A4
SCHEMBL4593125 0.76 BCL2A1 (0.43) TP53MAPTSMN1; SMN2BCL2A1RNF4
SCHEMBL4592269 0.76 PDK1 (0.38) TP53UBE2MDCUN1D1MAPTSMN1; SMN2

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