SCHEMBL650182

SCHEMBL650182

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
ATP4A P20648 4/20 0.38
ATP4B P51164 4/20 0.38
CACNA2D1 P54289 2/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 4/20 0.36
DRD3 P35462 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 4/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL650263 0.99 C5AR1 (0.41) C5AR1ATP4AATP4BCACNA2D1HPGD
SCHEMBL651033 0.95 C5AR1 (0.44) C5AR1ATP4AATP4BHPGDDRD2
SCHEMBL649888 0.94 C5AR1 (0.40) C5AR1ATP4AATP4BCACNA2D1HPGD
SCHEMBL651956 0.94 C5AR1 (0.43) C5AR1ATP4AATP4BHPGDSMN1; SMN2
SCHEMBL650580 0.93 C5AR1 (0.41) C5AR1ATP4AATP4BDRD2DRD3
SCHEMBL650072 0.93 C5AR1 (0.41) C5AR1ALDH1A1HTTTSHRMAPT
SCHEMBL651651 0.92 C5AR1 (0.39) C5AR1CACNA2D1HPGDALDH1A1HTT
SCHEMBL1913032 0.92 C5AR1 (0.41) C5AR1HPGDSMN1; SMN2ALDH1A1HTT
SCHEMBL650574 0.92 C5AR1 (0.41) C5AR1ATP4AATP4BALDH1A1HTT
SCHEMBL652368 0.91 C5AR1 (0.39) C5AR1ATP4AATP4BCACNA2D1SMN1; SMN2

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