SCHEMBL648415

SCHEMBL648415

CCCCn1c(-c2ccccc2)nc(-c2cccc(OC)c2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(OC(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.40
PDE4B Q07343 13/20 0.39
C5AR1 P21730 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MAPT P10636 1/20 0.36
TLR8 Q9NR97 1/20 0.35
CACNA2D1 P54289 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
SCHEMBL1913033 0.94 TLR7 (0.39) TLR7PDE4BC5AR1MEN1KMT2A
SCHEMBL5135971 0.93 C5AR1 (0.41) PDE4BC5AR1MAPT
SCHEMBL651651 0.92 C5AR1 (0.39) TLR7PDE4BC5AR1MAPTCACNA2D1
SCHEMBL1913032 0.92 C5AR1 (0.41) PDE4BC5AR1MAPT
SCHEMBL649156 0.92 C5AR1 (0.42) TLR7PDE4BC5AR1NR1H3MAPT
SCHEMBL648977 0.92 C5AR1 (0.41) TLR7C5AR1NR1H3MAPT
SCHEMBL648894 0.91 TP53 (0.40) C5AR1MEN1KMT2AMAPT
SCHEMBL652021 0.91 C5AR1 (0.54) PDE4BC5AR1MAPT
SCHEMBL651033 0.91 C5AR1 (0.44) PDE4BC5AR1NR1H3MAPT
SCHEMBL650238 0.91 C5AR1 (0.40) TLR7PDE4BC5AR1MEN1KMT2A

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