SCHEMBL652457

SCHEMBL652457

CCCCn1c(-c2ccccc2)nc(-c2ccc(Cl)cc2)c1CN(Cc1ccc(C(=O)O)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.53
PTGES O14684 2/20 0.43
ALOX5 P09917 2/20 0.43
NR1H4 Q96RI1 1/20 0.42
LTA4H P09960 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CTRC Q99895 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
MAPK1 P28482 1/20 0.36
PIN1 Q13526 1/20 0.36
LMNA P02545 1/20 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
SCHEMBL650916 0.95 C5AR1 (0.58) C5AR1PTGESALOX5NR1H4LTA4H
SCHEMBL650570 0.94 C5AR1 (0.55) C5AR1PTGESALOX5NR1H4LTA4H
SCHEMBL649699 0.93 C5AR1 (0.51) C5AR1PTGESALOX5NR1H4PTGDR2
SCHEMBL649578 0.93 C5AR1 (0.53) C5AR1PTGESALOX5LTA4HPTGDR2
SCHEMBL650896 0.91 C5AR1 (0.52) C5AR1PTGESALOX5LTA4HPTGDR2
SCHEMBL5135637 0.91 C5AR1 (0.65) C5AR1PTGESALOX5LTA4HTAS2R14
SCHEMBL648636 0.91 C5AR1 (0.51) C5AR1PTGESALOX5NR1H4LTA4H
SCHEMBL650741 0.90 C5AR1 (0.52) C5AR1PTGESALOX5NR1H4LTA4H
SCHEMBL5136601 0.89 C5AR1 (0.58) C5AR1GAALMNA
SCHEMBL650669 0.89 C5AR1 (0.51) C5AR1PTGESALOX5NR1H4LTA4H

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