SCHEMBL651367

SCHEMBL651367

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(OC)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
BCHE P06276 3/20 0.42
ACHE P22303 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CASR P41180 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 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
SCHEMBL652664 0.94 C5AR1 (0.45) C5AR1BCHEACHEKDM4ETP53
SCHEMBL652183 0.93 C5AR1 (0.45) C5AR1KDM4ETP53GAASMN1; SMN2
SCHEMBL651343 0.92 C5AR1 (0.47) C5AR1BCHEACHETP53GAA
SCHEMBL651011 0.91 C5AR1 (0.47) C5AR1BCHEACHEKDM4ETP53
SCHEMBL650099 0.90 C5AR1 (0.43) C5AR1BCHEACHEKDM4ETP53
SCHEMBL648442 0.89 C5AR1 (0.45) C5AR1BCHEACHETP53GAA
SCHEMBL5135336 0.89 C5AR1 (0.45) C5AR1BCHEACHEKDM4ETP53
SCHEMBL649931 0.89 C5AR1 (0.47) C5AR1BCHEACHEKDM4ETP53
SCHEMBL5137337 0.89 C5AR1 (0.41) C5AR1BCHEACHEKDM4ETP53
SCHEMBL649709 0.88 C5AR1 (0.50) C5AR1BCHEACHEKDM4ETP53

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
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
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