SCHEMBL4771426

SCHEMBL4771426

CCCCn1c(-c2ccccc2)nc(-c2ccc(OC)cc2)c1CC1(CNCc2ccc3c(c2)CCO3)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BCHE P06276 3/20 0.37
PTGDR Q13258 1/20 0.36
CXCR3 P49682 1/20 0.35
GSK3B P49841 1/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
POLB P06746 1/20 0.33
RYR2 Q92736 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
SCHEMBL4769324 0.81 C5AR1 (0.39) C5AR1BCHEPTGDRCXCR3GSK3B
SCHEMBL649270 0.79 ACHE (0.36) C5AR1MEN1KMT2ABCHESMN1; SMN2
SCHEMBL4769327 0.78 C5AR1 (0.44) C5AR1BCHECXCR3GSK3BGNRHR
SCHEMBL5136874 0.73 C5AR1 (0.54) C5AR1CXCR3CHRM5CHRM1
SCHEMBL5134570 0.72 C5AR1 (0.54) C5AR1BCHECXCR3ALDH1A1MAPT
SCHEMBL653131 0.72 C5AR1 (0.59) C5AR1CXCR3SMN1; SMN2CHRM5CHRM1
SCHEMBL649152 0.71 C5AR1 (0.47) C5AR1CXCR3CHRM5CHRM1GNRHR
SCHEMBL5135332 0.71 C5AR1 (0.59) C5AR1MEN1KMT2ABCHERAB9A
SCHEMBL5135904 0.71 C5AR1 (0.56) C5AR1MEN1KMT2ABCHERAB9A
SCHEMBL1915326 0.70 C5AR1 (0.51) C5AR1CXCR3RAB9ANPC1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP claimed