SCHEMBL651099

SCHEMBL651099

CCCCn1c(-c2ccccc2)nc(F)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
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
TSHR P16473 1/20 0.39
GBA1 P04062 1/20 0.38
PTGDR2 Q9Y5Y4 6/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 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
SCHEMBL650388 0.94 C5AR1 (0.65) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL1912864 0.93 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL1913068 0.91 C5AR1 (0.49) C5AR1SMN1; SMN2LMNAL3MBTL1PTGDR2
SCHEMBL649490 0.90 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL1912839 0.90 C5AR1 (0.66) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL652376 0.90 C5AR1 (0.58) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL1912838 0.88 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL4765639 0.88 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL649255 0.87 C5AR1 (0.71) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL1912840 0.87 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1

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