SCHEMBL5136483

SCHEMBL5136483

CCCCn1c(CN(CCCC2CCCCC2)Cc2ccc3c(c2)OCO3)cnc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
F2R P25116 5/20 0.40
CTSL P07711 3/20 0.37
UBE2M P61081 3/20 0.37
DCUN1D1 Q96GG9 3/20 0.37
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
KMT2A Q03164 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL5135679 0.96 C5AR1 (0.43) C5AR1F2RCTSLUBE2MDCUN1D1
SCHEMBL5135194 0.95 C5AR1 (0.44) C5AR1F2RCTSLUBE2MDCUN1D1
SCHEMBL5135362 0.92 C5AR1 (0.43) C5AR1F2RCTSLUBE2MDCUN1D1
SCHEMBL4772930 0.92 C5AR1 (0.52) C5AR1F2RCTSLUBE2MDCUN1D1
SCHEMBL5137543 0.92 C5AR1 (0.44) C5AR1F2RCTSLUBE2MDCUN1D1
SCHEMBL5137123 0.92 C5AR1 (0.44) C5AR1F2RCTSLUBE2MDCUN1D1
SCHEMBL5135371 0.91 C5AR1 (0.45) C5AR1F2RCTSLUBE2MDCUN1D1
SCHEMBL5149996 0.91 C5AR1 (0.49) C5AR1F2RCTSLHSP90AA1HSP90AB1
SCHEMBL5216956 0.90 C5AR1 (0.48) C5AR1F2RCTSLHSP90AA1HSP90AB1
SCHEMBL5137525 0.89 C5AR1 (0.45) C5AR1F2RCTSLUBE2MDCUN1D1

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