SCHEMBL650214

SCHEMBL650214

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
LTA4H P09960 1/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.38
TSHR P16473 3/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.37
CRHR1 P34998 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
PPARG P37231 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
SCHEMBL649896 0.95 C5AR1 (0.57) C5AR1PTGESALOX5LTA4HTSHR
SCHEMBL1912838 0.93 C5AR1 (0.57) C5AR1PTGDR2TSHRCYP2C8CYP2C9
SCHEMBL651025 0.93 C5AR1 (0.48) C5AR1PTGESALOX5PTGDR2TSHR
SCHEMBL650916 0.91 C5AR1 (0.58) C5AR1PTGESALOX5LTA4HPTGDR2
SCHEMBL1912842 0.90 C5AR1 (0.62) C5AR1TSHRLMNAALDH1A1NPSR1
SCHEMBL1913048 0.90 C5AR1 (0.56) C5AR1TSHRLMNATAS2R14ALDH1A1
SCHEMBL1913102 0.90 C5AR1 (0.52) C5AR1PTGESALOX5LTA4HPTGDR2
SCHEMBL648929 0.89 C5AR1 (0.55) C5AR1TSHRLMNAALDH1A1GAA
SCHEMBL648636 0.89 C5AR1 (0.51) C5AR1PTGESALOX5LTA4HPTGDR2
SCHEMBL650282 0.88 C5AR1 (0.51) C5AR1PTGESALOX5LTA4HPTGDR2

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