SCHEMBL5136605

SCHEMBL5136605

CCCCN(Cc1ccc2c(c1)OCO2)Cc1c(-c2ccccc2)nc(-c2cccc(OC)c2)n1CCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.60
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
HTR2B P41595 3/20 0.46
F2R P25116 2/20 0.45
GNRHR P30968 3/20 0.43
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL5134900 0.93 C5AR1 (0.63) C5AR1HTR2AHTR2CHTR2BF2R
SCHEMBL650168 0.93 C5AR1 (0.62) C5AR1HTR2AHTR2CHTR2BF2R
SCHEMBL5137882 0.91 C5AR1 (0.71) C5AR1HTR2AHTR2CHTR2BF2R
SCHEMBL1913063 0.89 C5AR1 (0.61) C5AR1F2RGNRHRLMNASMN1; SMN2
SCHEMBL5136938 0.89 C5AR1 (0.66) C5AR1HTR2AHTR2CHTR2BF2R
SCHEMBL5137483 0.89 C5AR1 (0.67) C5AR1F2RGNRHRLMNASMN1; SMN2
SCHEMBL5135904 0.88 C5AR1 (0.56) C5AR1F2RGNRHRLMNASMN1; SMN2
SCHEMBL649979 0.88 C5AR1 (0.65) C5AR1HTR2AHTR2CHTR2BF2R
SCHEMBL649697 0.88 C5AR1 (0.57) C5AR1HTR2AHTR2CHTR2BF2R
SCHEMBL649868 0.88 C5AR1 (0.66) C5AR1HTR2AHTR2CHTR2BF2R

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