SCHEMBL650991

SCHEMBL650991

CCCCn1c(-c2ccccc2)nc(-c2cccc(Cl)c2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1cccc(OCC)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.38
CACNA2D1 P54289 2/20 0.38
C5AR1 P21730 1/20 0.37
BCHE P06276 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
DAGLA Q9Y4D2 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 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
SCHEMBL649822 0.95 C5AR1 (0.39) TLR7CACNA2D1C5AR1BCHEMAPT
SCHEMBL648391 0.94 C5AR1 (0.38) TLR7C5AR1BCHEMAPTALDH1A1
SCHEMBL650072 0.94 C5AR1 (0.41) TLR7C5AR1BCHEMAPTALDH1A1
SCHEMBL653383 0.93 C5AR1 (0.39) TLR7CACNA2D1C5AR1BCHEMAPT
SCHEMBL650215 0.93 C5AR1 (0.38) TLR7C5AR1BCHEMAPTALDH1A1
SCHEMBL649888 0.93 C5AR1 (0.40) CACNA2D1C5AR1BCHEMAPTALDH1A1
SCHEMBL651651 0.92 C5AR1 (0.39) TLR7CACNA2D1C5AR1MAPTALDH1A1
SCHEMBL650750 0.92 MAPT (0.36) C5AR1BCHEMAPTALDH1A1HTT
SCHEMBL1913033 0.92 TLR7 (0.39) TLR7CACNA2D1C5AR1BCHEMAPT
SCHEMBL650506 0.92 C5AR1 (0.37) TLR7C5AR1BCHEMAPTALDH1A1

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