SCHEMBL652155

SCHEMBL652155

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1ccc2c(c1)OCCO2)Cc1ccc(C(=O)O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.48
PTGES O14684 2/20 0.39
ALOX5 P09917 2/20 0.39
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
PTGDR2 Q9Y5Y4 6/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEP1B Q16820 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TAS2R14 Q9NYV8 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
SCHEMBL651112 0.93 C5AR1 (0.49) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL648636 0.91 C5AR1 (0.51) C5AR1PTGESALOX5AGTR1AGTR2
SCHEMBL651214 0.90 C5AR1 (0.50) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL649602 0.89 C5AR1 (0.51) C5AR1AGTR1AGTR2PTGDR2CYP2C8
SCHEMBL1913099 0.89 C5AR1 (0.49) C5AR1PTGESALOX5AGTR1AGTR2
SCHEMBL1913084 0.87 C5AR1 (0.51) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL652376 0.87 C5AR1 (0.58) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL648911 0.86 PTGES (0.46) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL650529 0.86 C5AR1 (0.47) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL1912840 0.86 C5AR1 (0.63) C5AR1SIRT2ALDH1A1TSHR

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