SCHEMBL5136963

SCHEMBL5136963

CCCCCCCN(Cc1ccc2c(c1)OCO2)Cc1cnc(-c2cccc(F)c2)n1CCCC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.47
F2R P25116 3/20 0.43
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4768999 0.94 C5AR1 (0.51) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL5136006 0.91 C5AR1 (0.46) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL14415541 0.91 C5AR1 (0.52) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL5201029 0.91 C5AR1 (0.47) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL5137422 0.91 C5AR1 (0.47) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL5254031 0.91 C5AR1 (0.47) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL5135017 0.91 C5AR1 (0.57) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL5137592 0.91 C5AR1 (0.57) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL5136211 0.91 C5AR1 (0.57) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL5216956 0.90 C5AR1 (0.48) C5AR1F2RHTR2AHTR2CHTR2B

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