SCHEMBL27620902

SCHEMBL27620902

CCCCn1c(-c2ccccc2)nc(-c2cccc(CN)c2)c1CN(Cc1cccc(OCC)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL27620790 0.96 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL649243 0.95 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL648344 0.94 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL651150 0.93 C5AR1 (0.61) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL647696 0.93 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL649697 0.92 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1HTR2A
SCHEMBL649030 0.92 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL652971 0.91 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL650856 0.91 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL649488 0.91 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG

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
CN-1646497-A Novel arylimidazoles and related compounds as modulators of the C5a receptor NEUROGEN CORP (US) 2005-07-27 CN claimed