SCHEMBL5774055

SCHEMBL5774055

COCCc1nc2c(N)nc3c(c2n1CCCCNC(=O)N1CCOCC1)CCCC3

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.44
HTT P42858 2/20 0.38
DRD2 P14416 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL5352329 0.97 TLR7 (0.45) TLR7HTT
SCHEMBL6738692 0.89 HTT (0.43) TLR7HTT
Hydrochloric Acid SCHEMBL5351391 0.89 HTT (0.43) TLR7HTT
SCHEMBL1538290 0.86 HTT (0.40) HTTDRD2ADRA1ADRD3
SCHEMBL5748740 0.84 TLR7 (0.42) TLR7
SCHEMBL5750020 0.82 TLR7 (0.48) TLR7
SCHEMBL4672516 0.81 TLR7 (0.63) TLR7
SCHEMBL5751136 0.81 TLR7 (0.42) TLR7DRD3
SCHEMBL5747439 0.81 TLR7 (0.37) TLR7
SCHEMBL726767 0.80 TLR7 (0.47) TLR7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198232-B1 UREA SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-23 EP claimed
US-6780873-B2 FOR INDUCING CYTOKINE BIOSYNTHESIS IN ANIMALS, AND IN THE TREATMENT OF DISEASES, INCLUDING VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-08-24 US claimed
US-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 US disclosed
US-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 US disclosed