SCHEMBL647750

SCHEMBL647750

CCCCn1c(-c2ccccc2)nc(-c2ccc(F)c(F)c2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(OC(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.35
P2RX7 Q99572 4/20 0.34
DAGLA Q9Y4D2 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD11B1 P28845 2/20 0.33
LMNA P02545 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32

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
SCHEMBL650750 0.93 MAPT (0.36) C5AR1ALDH1A1HTTTSHRMAPT
SCHEMBL648938 0.91 C5AR1 (0.54) C5AR1ALDH1A1TSHRLMNA
SCHEMBL651033 0.91 C5AR1 (0.44) C5AR1ALDH1A1HTTTSHRDAGLA
SCHEMBL650238 0.91 C5AR1 (0.40) C5AR1ALDH1A1HTTTSHRLTB4R2
SCHEMBL650574 0.91 C5AR1 (0.41) C5AR1ALDH1A1HTTTSHRDAGLA
SCHEMBL651956 0.90 C5AR1 (0.43) C5AR1ALDH1A1HTTTSHRDAGLA
SCHEMBL653383 0.90 C5AR1 (0.39) C5AR1ALDH1A1HTTTSHRDAGLA
SCHEMBL648894 0.90 TP53 (0.40) C5AR1ALDH1A1HTTTSHRDAGLA
SCHEMBL650606 0.90 MAPT (0.41) C5AR1ALDH1A1HTTTSHRDAGLA
SCHEMBL650580 0.90 C5AR1 (0.41) C5AR1ALDH1A1HTTTSHRDAGLA

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