SCHEMBL650529

SCHEMBL650529

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1ccc2c(c1)OCCO2)Cc1ccc(C(=O)O)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.47
PTGES O14684 2/20 0.39
ALOX5 P09917 2/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
GBA1 P04062 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
LTA4H P09960 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
SCHEMBL648636 0.92 C5AR1 (0.51) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL651214 0.89 C5AR1 (0.50) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL1913084 0.88 C5AR1 (0.51) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL652376 0.87 C5AR1 (0.58) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL651112 0.87 C5AR1 (0.49) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL648911 0.87 PTGES (0.46) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL647608 0.87 C5AR1 (0.48) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL652155 0.86 C5AR1 (0.48) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL650147 0.85 C5AR1 (0.51) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL1912840 0.85 C5AR1 (0.63) C5AR1ALDH1A1TSHRGBA1PPARG

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 6 patents. 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
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed