SCHEMBL648085

SCHEMBL648085

CCCCn1c(-c2ccccc2)nc(C#N)c1CN(Cc1ccc(C(=O)OC)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.46
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
TSHR P16473 5/20 0.37
MAPT P10636 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 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
GAA P10253 1/20 0.36
HPGD P15428 1/20 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
MAPK1 P28482 2/20 0.35
TLR7 Q9NYK1 1/20 0.35
MEN1 O00255 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
SCHEMBL650230 0.93 C5AR1 (0.49) C5AR1TSHRMAPTSIRT2PTGDR2
SCHEMBL649995 0.91 C5AR1 (0.37) C5AR1GSK3AGSK3BTSHRMAPT
SCHEMBL651293 0.90 C5AR1 (0.49) C5AR1GSK3AGSK3BTSHRMAPT
SCHEMBL650512 0.90 C5AR1 (0.55) C5AR1TSHRPTGDR2CYP2C8CYP2C9
SCHEMBL648086 0.90 C5AR1 (0.55) C5AR1GSK3AGSK3BTSHRMAPT
SCHEMBL650559 0.89 C5AR1 (0.48) C5AR1GSK3AGSK3BTSHRMAPT
SCHEMBL651546 0.89 C5AR1 (0.48) C5AR1GSK3AGSK3BTSHRMAPT
SCHEMBL651054 0.87 C5AR1 (0.52) C5AR1GSK3AGSK3BTSHRMAPT
SCHEMBL651025 0.87 C5AR1 (0.48) C5AR1GSK3AGSK3BTSHRMAPT
SCHEMBL648477 0.87 C5AR1 (0.46) C5AR1GSK3AGSK3BTSHRMAPT

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