SCHEMBL5136953

SCHEMBL5136953

CCCCn1c(CN(Cc2ccc3c(c2)OCO3)Cc2ccccc2CCc2ccccc2)cnc1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F2R P25116 1/20 0.38
CTSL P07711 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
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
SCHEMBL5135473 0.94 C5AR1 (0.54) C5AR1TP53POLBSMN1; SMN2LMNA
SCHEMBL5147409 0.93 C5AR1 (0.54) C5AR1TP53POLBSMN1; SMN2LMNA
SCHEMBL5136702 0.91 C5AR1 (0.51) C5AR1TP53POLBSMN1; SMN2LMNA
SCHEMBL5136076 0.91 C5AR1 (0.49) C5AR1TP53POLBSMN1; SMN2LMNA
SCHEMBL5135991 0.90 C5AR1 (0.56) C5AR1TP53POLBSMN1; SMN2LMNA
SCHEMBL4766728 0.90 C5AR1 (0.51) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL5136566 0.89 C5AR1 (0.48) C5AR1TP53POLBSMN1; SMN2LMNA
SCHEMBL5135773 0.88 C5AR1 (0.48) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL5135818 0.88 C5AR1 (0.47) C5AR1TP53POLBSMN1; SMN2LMNA
SCHEMBL5137372 0.88 C5AR1 (0.46) C5AR1TP53POLBSMN1; 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