SCHEMBL652179

SCHEMBL652179

CCCCn1c(-c2ccccc2)nc(C#N)c1CN(Cc1ccc(S(N)(=O)=O)cc1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
TSHR P16473 1/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA1 P00915 1/20 0.35
ADORA2A P29274 2/20 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
SCHEMBL648818 0.91 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL5135876 0.89 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1PTGS1
SCHEMBL651911 0.89 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1PTGS1
SCHEMBL5136040 0.88 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL651019 0.88 C5AR1 (0.53) C5AR1SMN1; SMN2LMNAL3MBTL1TAS2R14
SCHEMBL1913036 0.87 C5AR1 (0.55) C5AR1SMN1; SMN2LMNAL3MBTL1PTGS1
SCHEMBL650512 0.86 C5AR1 (0.55) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL648551 0.85 C5AR1 (0.50) C5AR1SMN1; SMN2LMNAL3MBTL1PTGS1
SCHEMBL650194 0.84 C5AR1 (0.53) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL649789 0.84 C5AR1 (0.53) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG

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