SCHEMBL5136907

SCHEMBL5136907

CCCCn1c(CN(Cc2cccc(Cl)c2)Cc2ccc3c(c2)OCO3)cnc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
F2R P25116 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MAOA P21397 1/20 0.38

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
SCHEMBL5137416 0.93 C5AR1 (0.56) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5134857 0.93 C5AR1 (0.60) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL647999 0.93 C5AR1 (0.62) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5134640 0.91 C5AR1 (0.56) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5135220 0.91 C5AR1 (0.56) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5135566 0.90 C5AR1 (0.57) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5134951 0.90 C5AR1 (0.53) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5135216 0.90 C5AR1 (0.55) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5135479 0.90 C5AR1 (0.55) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5136811 0.90 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