SCHEMBL649083

SCHEMBL649083

CCCCn1c(-c2ccccc2)nc(-c2ccc(OC)cc2)c1CN(Cc1cccc(OCC)c1)Cc1cccc(OCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
ALDH1A1 P00352 5/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 2/20 0.39
PDE4B Q07343 1/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CACNA2D1 P54289 3/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
TNK2 Q07912 1/20 0.38

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
SCHEMBL652044 0.97 C5AR1 (0.43) C5AR1ALDH1A1TSHRLMNANPC1
SCHEMBL650569 0.95 C5AR1 (0.44) C5AR1TSHRTLR7MAPTHPGD
SCHEMBL1913028 0.94 TLR7 (0.43) C5AR1TLR7MAPTCACNA2D1HSP90AA1
SCHEMBL648414 0.94 TLR7 (0.45) C5AR1ALDH1A1LMNATLR7MAPT
SCHEMBL649258 0.94 C5AR1 (0.45) C5AR1ALDH1A1TSHRTLR7MAPT
SCHEMBL650505 0.93 C5AR1 (0.43) C5AR1ALDH1A1TSHRMAPTKDM4E
SCHEMBL652475 0.92 C5AR1 (0.39) C5AR1ALDH1A1TSHRLMNANPC1
SCHEMBL648419 0.92 C5AR1 (0.46) C5AR1ALDH1A1TSHRLMNATLR7
SCHEMBL649417 0.92 C5AR1 (0.43) C5AR1ALDH1A1TSHRTLR7MAPT
SCHEMBL648177 0.91 C5AR1 (0.42) C5AR1TSHRMAPTCACNA2D1TNK2

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