SCHEMBL650580

SCHEMBL650580

CCCCn1c(-c2ccccc2)nc(-c2ccc(C)cc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(OC(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
TSHR P16473 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
ATP4A P20648 2/20 0.36
ATP4B P51164 2/20 0.36
DAGLA Q9Y4D2 1/20 0.36
HSD11B1 P28845 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL651033 0.96 C5AR1 (0.44) C5AR1TSHRALDH1A1HTTATP4A
SCHEMBL651956 0.95 C5AR1 (0.43) C5AR1TSHRALDH1A1HTTATP4A
SCHEMBL650574 0.94 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTATP4A
SCHEMBL1913032 0.94 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTGAA
SCHEMBL650606 0.93 MAPT (0.41) C5AR1TSHRALDH1A1HTTATP4A
SCHEMBL650182 0.93 C5AR1 (0.40) C5AR1TSHRALDH1A1HTTATP4A
SCHEMBL5135971 0.93 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTGAA
SCHEMBL652505 0.93 C5AR1 (0.42) C5AR1TSHRALDH1A1HTTATP4A
SCHEMBL650263 0.92 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTATP4A
SCHEMBL5135223 0.92 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTATP4A

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