SCHEMBL651028

SCHEMBL651028

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1cccc(C(C)C(=O)O)c1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
PTGDR2 Q9Y5Y4 4/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FABP4 P15090 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL647753 0.94 C5AR1 (0.49) C5AR1PTGDR2PTGS1PTGS2CYP2C8
SCHEMBL652376 0.88 C5AR1 (0.58) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL648949 0.88 PTGDR2 (0.51) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL651214 0.88 C5AR1 (0.50) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL1913082 0.87 C5AR1 (0.49) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL648866 0.87 C5AR1 (0.46) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL651035 0.87 C5AR1 (0.54) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL1913081 0.87 C5AR1 (0.54) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL648139 0.87 C5AR1 (0.54) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL649331 0.86 C5AR1 (0.49) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19

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
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed