SCHEMBL649957

SCHEMBL649957

CCCCN(Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC)C(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.38
TSHR P16473 1/20 0.38
PLA2G4A P47712 1/20 0.36
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CASR P41180 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
FAAH O00519 1/20 0.35
HDAC1 Q13547 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 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
SCHEMBL1912884 0.84 C5AR1 (0.37) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL647984 0.83 C5AR1 (0.42) C5AR1TSHRALOX5KDM4EALDH1A1
SCHEMBL650430 0.83 C5AR1 (0.42) C5AR1TSHRALOX5KDM4EALDH1A1
SCHEMBL647985 0.83 C5AR1 (0.42) C5AR1TSHRALOX5KDM4EALDH1A1
SCHEMBL5074064 0.82 LTA4H (0.45) C5AR1TSHRALOX5HDAC1PIN1
SCHEMBL650780 0.80 C5AR1 (0.58) C5AR1TSHRALDH1A1HPGDCASR
SCHEMBL647695 0.80 C5AR1 (0.51) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL5137880 0.80 C5AR1 (0.45) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL648042 0.79 MAPT (0.39) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL647693 0.76 JAK2 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD

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 8 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
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP 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
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed