SCHEMBL652183

SCHEMBL652183

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(O)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.39
TSHR P16473 2/20 0.37
NOX1 Q9Y5S8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.36

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
SCHEMBL648771 0.94 C5AR1 (0.45) C5AR1GAAKDM4ESIRT2TSHR
SCHEMBL651367 0.93 C5AR1 (0.45) C5AR1GAAKDM4ETSHRL3MBTL1
SCHEMBL651343 0.92 C5AR1 (0.47) C5AR1GAATSHRL3MBTL1TP53
SCHEMBL5070033 0.89 C5AR1 (0.41) C5AR1GAAKDM4ESIRT2NOX1
SCHEMBL651011 0.89 C5AR1 (0.47) C5AR1GAAKDM4ETSHRL3MBTL1
SCHEMBL648508 0.89 C5AR1 (0.50) C5AR1KDM4ETSHR
SCHEMBL652234 0.89 AGTR1 (0.46) C5AR1TSHRL3MBTL1
SCHEMBL649709 0.88 C5AR1 (0.50) C5AR1KDM4ETSHRTP53
SCHEMBL5146342 0.88 C5AR1 (0.44) C5AR1GAAKDM4EL3MBTL1TP53
SCHEMBL5135242 0.87 C5AR1 (0.45) C5AR1GAAKDM4ETSHRL3MBTL1

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