SCHEMBL23764016

SCHEMBL23764016

CCc1ccc(C2CN3CCC2CC3)cn1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.49
TLR7 Q9NYK1 2/20 0.46
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL9431625 0.77 CHRNA7 (0.49) CHRNA7TLR7
SCHEMBL9459255 0.74 CHRNA7 (0.53) CHRNA7
SCHEMBL15805581 0.72 MBOAT4 (0.43) CHRNA7TLR7
SCHEMBL15150043 0.71 KDM1A (0.51)
SCHEMBL22502996 0.71 QDPR (0.45) TLR7
SCHEMBL6628801 0.70 CHRNA7 (0.66) CHRNA7
SCHEMBL20847695 0.69 KDM4E (0.47) CHRNA7
SCHEMBL24501504 0.69 KDM4E (0.44) CHRNA7
SCHEMBL1538393 0.69 ALDH1A1 (0.54) CHRNA7
SCHEMBL9430901 0.68 CHRNB2 (0.49) CHRNA7TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3450433-B1 PURINE DERIVATIVES AS TLR7 INHIBITORS FOR TREATING E.G. SYSTEMIC LUPUS ERYTHEMATOSUS SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2021-08-18 EP disclosed