SCHEMBL648391

SCHEMBL648391

CCCCn1c(-c2ccccc2)nc(-c2ccc(Cl)cc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1cccc(OCC)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 3/20 0.34
RXFP1 Q9HBX9 2/20 0.34
BCHE P06276 2/20 0.34
NTRK1 P04629 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TNK2 Q07912 1/20 0.33

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
SCHEMBL649888 0.95 C5AR1 (0.40) C5AR1MAPTALDH1A1HTTBCHE
SCHEMBL650072 0.95 C5AR1 (0.41) C5AR1MAPTALDH1A1HTTBCHE
SCHEMBL650991 0.94 TLR7 (0.38) C5AR1MAPTALDH1A1HTTBCHE
SCHEMBL652368 0.94 C5AR1 (0.39) C5AR1MAPTALDH1A1HTTBCHE
SCHEMBL652475 0.93 C5AR1 (0.39) C5AR1MAPTALDH1A1HTTBCHE
SCHEMBL648175 0.93 C5AR1 (0.39) C5AR1MAPTALDH1A1HTTBCHE
SCHEMBL649822 0.93 C5AR1 (0.39) C5AR1MAPTALDH1A1HTTBCHE
SCHEMBL650750 0.92 MAPT (0.36) C5AR1MAPTALDH1A1HTTKMT2A
SCHEMBL651401 0.92 C5AR1 (0.42) C5AR1MAPTALDH1A1KMT2APOLB
SCHEMBL650606 0.92 MAPT (0.41) C5AR1MAPTALDH1A1HTTKMT2A

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
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
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