SCHEMBL5135932

SCHEMBL5135932

CCCCn1c(CN(Cc2ccc(SC)cc2)Cc2ccc3c(c2)OCO3)cnc1-c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.46
CTSL P07711 1/20 0.41
F2R P25116 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE5A O76074 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 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
SCHEMBL5136272 0.94 C5AR1 (0.43) C5AR1CTSLF2RSMN1; SMN2LMNA
SCHEMBL4768999 0.94 C5AR1 (0.51) C5AR1CTSLF2RSMN1; SMN2LMNA
SCHEMBL14415541 0.92 C5AR1 (0.52) C5AR1CTSLF2RSMN1; SMN2LMNA
SCHEMBL5134629 0.91 C5AR1 (0.46) C5AR1CTSLF2RSMN1; SMN2LMNA
SCHEMBL5136453 0.91 C5AR1 (0.55) C5AR1CTSLF2RSMN1; SMN2LMNA
SCHEMBL5178967 0.88 C5AR1 (0.45) C5AR1CTSLF2RSMN1; SMN2LMNA
SCHEMBL5136963 0.88 C5AR1 (0.47) C5AR1F2RSMN1; SMN2LMNAUSP2
SCHEMBL5134878 0.88 C5AR1 (0.55) C5AR1CTSLF2RSMN1; SMN2LMNA
SCHEMBL5137617 0.87 C5AR1 (0.47) C5AR1CTSLF2RSMN1; SMN2LMNA
SCHEMBL5135991 0.86 C5AR1 (0.56) C5AR1CTSLF2RSMN1; SMN2LMNA

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