SCHEMBL5136601

SCHEMBL5136601

CCCCN(Cc1ccc2c(c1)OCCO2)Cc1c(-c2ccc(Cl)cc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.58
METAP2 P50579 1/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CRHR1 P34998 2/20 0.36
BCHE P06276 3/20 0.35
SLC2A1 P11166 1/20 0.35
GNRHR P30968 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
GBA1 P04062 1/20 0.34
F2R P25116 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
SCHEMBL5136318 0.95 C5AR1 (0.65) C5AR1LMNASMN1; SMN2L3MBTL1GNRHR
SCHEMBL5135936 0.95 C5AR1 (0.63) C5AR1LMNASMN1; SMN2L3MBTL1CRHR1
SCHEMBL5071329 0.92 C5AR1 (0.60) C5AR1LMNASMN1; SMN2L3MBTL1CRHR1
SCHEMBL5073846 0.92 C5AR1 (0.58) C5AR1METAP2LMNASMN1; SMN2L3MBTL1
SCHEMBL5136554 0.92 C5AR1 (0.58) C5AR1LMNASMN1; SMN2L3MBTL1CRHR1
SCHEMBL5135734 0.92 C5AR1 (0.63) C5AR1LMNASMN1; SMN2L3MBTL1BCHE
SCHEMBL651206 0.91 C5AR1 (0.68) C5AR1LMNASMN1; SMN2L3MBTL1GNRHR
SCHEMBL1912839 0.91 C5AR1 (0.66) C5AR1LMNASMN1; SMN2L3MBTL1GAA
SCHEMBL5135904 0.90 C5AR1 (0.56) C5AR1LMNASMN1; SMN2L3MBTL1BCHE
SCHEMBL649257 0.90 C5AR1 (0.56) C5AR1LMNASMN1; SMN2L3MBTL1CRHR1

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