SCHEMBL5135940

SCHEMBL5135940

CCCCn1c(CN(Cc2ccc3c(c2)OCO3)Cc2ccccc2OC(F)(F)F)cnc1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.46
TP53 P04637 3/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
F2R P25116 1/20 0.35
UBE2M P61081 3/20 0.35
DCUN1D1 Q96GG9 3/20 0.35
KCNH2 Q12809 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TDP1 Q9NUW8 2/20 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
SCHEMBL5136076 0.89 C5AR1 (0.49) C5AR1TP53POLBKMT2AKDM4E
SCHEMBL4766728 0.89 C5AR1 (0.51) C5AR1KMT2AKDM4EMEN1TSHR
SCHEMBL5147409 0.88 C5AR1 (0.54) C5AR1TP53POLBTSHRSMN1; SMN2
SCHEMBL5136566 0.88 C5AR1 (0.48) C5AR1TP53POLBKMT2AKDM4E
SCHEMBL5135991 0.87 C5AR1 (0.56) C5AR1TP53POLBTSHRSMN1; SMN2
SCHEMBL5135818 0.86 C5AR1 (0.47) C5AR1TP53POLBKMT2AKDM4E
SCHEMBL5136953 0.86 C5AR1 (0.49) C5AR1TP53POLBKMT2AKDM4E
SCHEMBL5137372 0.86 C5AR1 (0.46) C5AR1TP53POLBKMT2AKDM4E
SCHEMBL5135525 0.86 C5AR1 (0.53) C5AR1TP53POLBKMT2AKDM4E
SCHEMBL5135209 0.86 C5AR1 (0.53) C5AR1TP53POLBKMT2AKDM4E

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