SCHEMBL652664

SCHEMBL652664

CCCCN(Cc1ccc(OC)c(O)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 1/20 0.36
CRHR1 P34998 1/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
CASR P41180 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 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
SCHEMBL5137337 0.95 C5AR1 (0.41) C5AR1KDM4ETP53GAASMN1; SMN2
SCHEMBL651367 0.94 C5AR1 (0.45) C5AR1KDM4ETP53GAASMN1; SMN2
SCHEMBL5134684 0.93 C5AR1 (0.41) C5AR1KDM4ETP53GAASMN1; SMN2
SCHEMBL648771 0.93 C5AR1 (0.45) C5AR1KDM4ETP53GAASMN1; SMN2
SCHEMBL649655 0.92 C5AR1 (0.47) C5AR1TP53GAASMN1; SMN2BCHE
SCHEMBL648191 0.91 C5AR1 (0.46) C5AR1KDM4ETP53GAASMN1; SMN2
SCHEMBL648522 0.90 C5AR1 (0.42) C5AR1KDM4EBCHETSHRHDAC1
SCHEMBL649485 0.89 C5AR1 (0.45) C5AR1TP53GAASMN1; SMN2BCHE
SCHEMBL5134637 0.89 C5AR1 (0.45) C5AR1TP53GAASMN1; SMN2BCHE
SCHEMBL1912916 0.89 C5AR1 (0.47) C5AR1KDM4ETP53GAASMN1; SMN2

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 9 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
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