SCHEMBL649762

SCHEMBL649762

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.47
TLR7 Q9NYK1 14/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEP1B Q16820 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL651214 0.92 C5AR1 (0.50) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL1913082 0.92 C5AR1 (0.49) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL651163 0.91 C5AR1 (0.49) C5AR1TLR7PTGDR2CYP2C8CYP2C9
SCHEMBL651030 0.90 C5AR1 (0.47) C5AR1TLR7PTGDR2CYP2C8CYP2C9
SCHEMBL649777 0.89 C5AR1 (0.55) C5AR1SIRT2
SCHEMBL1913101 0.89 C5AR1 (0.42) C5AR1PTGDR2
SCHEMBL651713 0.89 C5AR1 (0.49) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL651035 0.88 C5AR1 (0.54) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL652376 0.88 C5AR1 (0.58) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL650149 0.88 C5AR1 (0.49) C5AR1TLR7PTGDR2CYP2C8CYP2C9

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