SCHEMBL5136776

SCHEMBL5136776

CCCCn1c(CN(Cc2cc(C)cc(C)c2)Cc2ccc3c(c2)OCO3)cnc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
TSHR P16473 2/20 0.38
F2R P25116 3/20 0.38
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GBA1 P04062 1/20 0.37
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL647999 0.95 C5AR1 (0.62) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5134640 0.94 C5AR1 (0.56) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5073883 0.94 C5AR1 (0.58) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5134857 0.94 C5AR1 (0.60) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5136174 0.92 C5AR1 (0.58) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL4766567 0.92 C5AR1 (0.60) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5136875 0.91 C5AR1 (0.57) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL4765625 0.91 C5AR1 (0.57) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL4764298 0.91 C5AR1 (0.57) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL4765554 0.91 C5AR1 (0.59) 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