SCHEMBL649254

SCHEMBL649254

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(O)ncnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
PKM P14618 1/20 0.36
ALDH1A1 P00352 6/20 0.36
NPSR1 Q6W5P4 3/20 0.36
RAB9A P51151 1/20 0.36
HIF1A Q16665 1/20 0.36
UBE2M P61081 3/20 0.35
DCUN1D1 Q96GG9 3/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
GBA1 P04062 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL649867 0.91 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL648841 0.89 C5AR1 (0.65) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL650118 0.87 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL1912842 0.86 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL649896 0.85 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1PKM
SCHEMBL1913056 0.85 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL649792 0.85 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL1912838 0.84 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL1913048 0.83 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1PKM
SCHEMBL649295 0.83 C5AR1 (0.59) 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