SCHEMBL652044

SCHEMBL652044

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC)cc1)Cc1cccc(OCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
TLR7 Q9NYK1 1/20 0.40
NR1H3 Q13133 2/20 0.39
BCHE P06276 2/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CACNA2D1 P54289 2/20 0.37
CALM1 P0DP23 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL649083 0.97 C5AR1 (0.42) C5AR1TLR7BCHEMAPTALDH1A1
SCHEMBL648419 0.95 C5AR1 (0.46) C5AR1TLR7NR1H3BCHEMAPT
SCHEMBL649258 0.95 C5AR1 (0.45) C5AR1TLR7BCHEMAPTALDH1A1
SCHEMBL652475 0.93 C5AR1 (0.39) C5AR1TLR7NR1H3BCHEMAPT
SCHEMBL1913028 0.93 TLR7 (0.43) C5AR1TLR7NR1H3BCHEMAPT
SCHEMBL648414 0.93 TLR7 (0.45) C5AR1TLR7NR1H3BCHEMAPT
SCHEMBL650569 0.93 C5AR1 (0.44) C5AR1TLR7BCHEMAPTTSHR
SCHEMBL5136799 0.93 C5AR1 (0.43) C5AR1BCHEMAPTALDH1A1LMNA
SCHEMBL5135433 0.92 C5AR1 (0.46) C5AR1TLR7NR1H3BCHEMAPT
SCHEMBL1914664 0.91 C5AR1 (0.43) C5AR1BCHEMAPTTSHRPPARG

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