SCHEMBL5135250

SCHEMBL5135250

CCCCn1c(CN(Cc2ccc(F)c(Br)c2)Cc2ccc3c(c2)OCO3)cnc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.53
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
CTSL P07711 3/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
F2R P25116 3/20 0.37
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
GBA1 P04062 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL5135304 0.93 C5AR1 (0.56) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5136061 0.92 C5AR1 (0.55) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL647999 0.91 C5AR1 (0.62) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5136026 0.90 C5AR1 (0.53) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5134951 0.90 C5AR1 (0.53) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5134942 0.90 C5AR1 (0.55) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5136880 0.90 C5AR1 (0.55) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5135991 0.90 C5AR1 (0.56) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5134857 0.90 C5AR1 (0.60) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5135732 0.89 C5AR1 (0.53) 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