SCHEMBL650916

SCHEMBL650916

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.58
PTGES O14684 2/20 0.45
ALOX5 P09917 2/20 0.45
LTA4H P09960 2/20 0.41
TSHR P16473 4/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL650570 0.97 C5AR1 (0.55) C5AR1PTGESALOX5LTA4HTSHR
SCHEMBL652457 0.95 C5AR1 (0.53) C5AR1PTGESALOX5LTA4HTSHR
SCHEMBL649578 0.95 C5AR1 (0.53) C5AR1PTGESALOX5LTA4HTSHR
SCHEMBL5135637 0.95 C5AR1 (0.65) C5AR1PTGESALOX5LTA4HTSHR
SCHEMBL650741 0.95 C5AR1 (0.52) C5AR1PTGESALOX5LTA4HTSHR
SCHEMBL650896 0.94 C5AR1 (0.52) C5AR1PTGESALOX5LTA4HPTGDR2
SCHEMBL650669 0.93 C5AR1 (0.51) C5AR1PTGESALOX5LTA4HTSHR
SCHEMBL650523 0.93 C5AR1 (0.50) C5AR1PTGESALOX5LTA4HTSHR
SCHEMBL1913102 0.93 C5AR1 (0.52) C5AR1PTGESALOX5LTA4HTSHR
SCHEMBL4765639 0.92 C5AR1 (0.64) C5AR1TSHRPTGDR2ALDH1A1GAA

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