SCHEMBL649430

SCHEMBL649430

CCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc2c(c1)OCCO2)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.58
GBA1 P04062 1/20 0.40
KDM4E B2RXH2 5/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2D6 P10635 2/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 3/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL1912839 0.94 C5AR1 (0.66) C5AR1GBA1KDM4ETDP1SMN1; SMN2
SCHEMBL652877 0.94 C5AR1 (0.66) C5AR1GBA1KDM4EGFERTDP1
SCHEMBL5136554 0.93 C5AR1 (0.58) C5AR1GBA1KDM4EGFERTDP1
SCHEMBL4765639 0.92 C5AR1 (0.64) C5AR1GBA1KDM4ETDP1SMN1; SMN2
SCHEMBL649255 0.92 C5AR1 (0.71) C5AR1GBA1KDM4EGFERTDP1
SCHEMBL6679531 0.91 C5AR1 (0.57) C5AR1GBA1KDM4EGFERTDP1
SCHEMBL650039 0.91 C5AR1 (0.49) C5AR1GAAMEN1KMT2AALDH1A1
SCHEMBL5135701 0.91 C5AR1 (0.64) C5AR1GBA1KDM4ETDP1SMN1; SMN2
SCHEMBL651515 0.90 C5AR1 (0.51) C5AR1GBA1KDM4EGFERTDP1
SCHEMBL5135936 0.90 C5AR1 (0.63) C5AR1GBA1KDM4ETDP1SMN1; 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