SCHEMBL5136277

SCHEMBL5136277

CCCCn1c(CN(C/C=C\c2ccc(Br)cc2F)Cc2ccc3c(c2)OCO3)cnc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
CTSL P07711 2/20 0.34
ALDH1A1 P00352 2/20 0.34
F2R P25116 1/20 0.34
RAB9A P51151 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5136279 1.00 C5AR1 (0.48) C5AR1SMN1; SMN2LMNAL3MBTL1KCNH2
SCHEMBL5135814 0.95 C5AR1 (0.48) C5AR1SMN1; SMN2LMNAL3MBTL1KCNH2
SCHEMBL5135817 0.95 C5AR1 (0.48) C5AR1SMN1; SMN2LMNAL3MBTL1KCNH2
SCHEMBL5137287 0.93 C5AR1 (0.52) C5AR1SMN1; SMN2LMNAL3MBTL1KCNH2
SCHEMBL5137286 0.93 C5AR1 (0.52) C5AR1SMN1; SMN2LMNAL3MBTL1KCNH2
SCHEMBL5134977 0.91 C5AR1 (0.48) C5AR1SMN1; SMN2LMNAL3MBTL1KCNH2
SCHEMBL5134973 0.91 C5AR1 (0.48) C5AR1SMN1; SMN2LMNAL3MBTL1KCNH2
SCHEMBL5135424 0.89 C5AR1 (0.46) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL5135423 0.89 C5AR1 (0.46) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL5136553 0.89 C5AR1 (0.49) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1

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