SCHEMBL650402

SCHEMBL650402

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(OCC)c(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
CSF1R P07333 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 4/20 0.33
XBP1 P17861 1/20 0.33
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL650263 0.92 C5AR1 (0.41) C5AR1ALDH1A1HTTMAPTTSHR
SCHEMBL1912977 0.91 C5AR1 (0.42) C5AR1CSF1RALDH1A1HTTTSHR
SCHEMBL650182 0.91 C5AR1 (0.40) C5AR1ALDH1A1HTTMAPTTSHR
SCHEMBL647764 0.91 C5AR1 (0.47) C5AR1ALDH1A1MAPTTSHRKDM4E
SCHEMBL651033 0.91 C5AR1 (0.44) C5AR1ALDH1A1HTTMAPTTSHR
SCHEMBL650072 0.90 C5AR1 (0.41) C5AR1ALDH1A1HTTMAPTTSHR
SCHEMBL648409 0.90 C5AR1 (0.42) C5AR1CSF1RALDH1A1HTTTSHR
SCHEMBL5136072 0.90 C5AR1 (0.43) C5AR1ALDH1A1MAPTTSHRKDM4E
SCHEMBL651956 0.90 C5AR1 (0.43) C5AR1ALDH1A1HTTMAPTTSHR
SCHEMBL1913005 0.89 C5AR1 (0.42) C5AR1CSF1RALDH1A1HTTTSHR

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