SCHEMBL650279

SCHEMBL650279

CCCCn1c(-c2ccccc2)nc(-c2ccc(S(C)(=O)=O)cc2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.64
F2R P25116 1/20 0.43
PTGS2 P35354 4/20 0.42
PTGS1 P23219 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
GNRHR P30968 1/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL4767016 0.92 C5AR1 (0.75) C5AR1F2RSMN1; SMN2LMNAL3MBTL1
SCHEMBL5135876 0.91 C5AR1 (0.63) C5AR1PTGS2PTGS1SMN1; SMN2LMNA
SCHEMBL649645 0.90 C5AR1 (0.70) C5AR1F2RSMN1; SMN2LMNAL3MBTL1
SCHEMBL648372 0.90 C5AR1 (0.70) C5AR1F2RSMN1; SMN2LMNAL3MBTL1
SCHEMBL5135929 0.90 C5AR1 (0.72) C5AR1F2RSMN1; SMN2LMNAL3MBTL1
SCHEMBL651414 0.90 C5AR1 (0.69) C5AR1F2RSMN1; SMN2LMNAL3MBTL1
SCHEMBL1913022 0.90 C5AR1 (0.69) C5AR1F2RSMN1; SMN2LMNAL3MBTL1
SCHEMBL647995 0.89 C5AR1 (0.56) C5AR1F2RPTGS2PTGS1SMN1; SMN2
SCHEMBL649255 0.89 C5AR1 (0.71) C5AR1F2RSMN1; SMN2LMNAL3MBTL1
SCHEMBL650779 0.88 C5AR1 (0.68) C5AR1F2RSMN1; SMN2LMNAL3MBTL1

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