SCHEMBL5136188

SCHEMBL5136188

CCCCn1c(CN(Cc2ccc3c(c2)OCO3)CC(C)c2ccccc2)cnc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
TSHR P16473 3/20 0.36
F2R P25116 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GBA1 P04062 1/20 0.35
PKM P14618 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL5136973 0.93 C5AR1 (0.56) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5135663 0.93 C5AR1 (0.53) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL4764245 0.92 C5AR1 (0.56) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5137833 0.91 C5AR1 (0.52) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5134521 0.91 C5AR1 (0.53) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5136462 0.91 C5AR1 (0.56) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL647999 0.90 C5AR1 (0.62) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5134712 0.90 C5AR1 (0.54) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL4765554 0.90 C5AR1 (0.59) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5136725 0.89 C5AR1 (0.55) 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