SCHEMBL651607

SCHEMBL651607

CCCCn1c(-c2ccccc2)nc(-c2ccc(F)cc2)c1CN(Cc1ccc(C(=O)OC)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
MMP1 P03956 1/20 0.38
MMP13 P45452 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
AGTR1 P30556 1/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GNRHR P30968 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
SCHEMBL648086 0.96 C5AR1 (0.55) C5AR1SIRT2GSK3AGSK3BPTGDR2
SCHEMBL651054 0.94 C5AR1 (0.52) C5AR1SIRT2GSK3AGSK3BPTGDR2
SCHEMBL648481 0.94 C5AR1 (0.48) C5AR1SIRT2GSK3AGSK3BPTGDR2
SCHEMBL649699 0.93 C5AR1 (0.51) C5AR1SIRT2GSK3AGSK3BPTGDR2
SCHEMBL652444 0.93 C5AR1 (0.51) C5AR1SIRT2GSK3AGSK3BPPARG
SCHEMBL649578 0.93 C5AR1 (0.53) C5AR1MMP1MMP13SIRT2PTGDR2
SCHEMBL5136520 0.91 C5AR1 (0.61) C5AR1SIRT2PPARGPPARAALDH1A1
SCHEMBL650615 0.91 C5AR1 (0.49) C5AR1SIRT2GSK3AGSK3BPTGDR2
SCHEMBL648162 0.90 C5AR1 (0.48) C5AR1PTGDR2PPARGPPARAALDH1A1
SCHEMBL1913113 0.89 C5AR1 (0.48) C5AR1GSK3AGSK3BPTGDR2PPARG

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