SCHEMBL5135979

SCHEMBL5135979

CCCCn1c(CN(C/C=C\c2c(F)cccc2Cl)Cc2ccc3c(c2)OCO3)cnc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.47
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
KCNH2 Q12809 2/20 0.33
CTSL P07711 2/20 0.33
F2R P25116 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
SCHEMBL5135981 1.00 C5AR1 (0.47) C5AR1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL5138082 0.95 C5AR1 (0.50) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5138081 0.95 C5AR1 (0.50) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5137286 0.91 C5AR1 (0.52) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5137287 0.91 C5AR1 (0.52) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5134977 0.89 C5AR1 (0.48) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5134973 0.89 C5AR1 (0.48) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5135492 0.87 C5AR1 (0.51) C5AR1KMT2ASMN1; SMN2TDP1LMNA
SCHEMBL5136277 0.86 C5AR1 (0.48) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5136279 0.86 C5AR1 (0.48) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP 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