SCHEMBL20011219

SCHEMBL20011219

CC1CCC(=O)N1CCCn1c(=O)c2c(n(C)c1=O)NCN2C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
TNF P01375 1/20 0.32
PER2 O15055 3/20 0.31

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
SCHEMBL4557788 0.73 TNF (0.46) TNF
SCHEMBL20011542 0.71 TNF (0.35) TNF
SCHEMBL18256068 0.70 CHIT1 (0.56) TNF
SCHEMBL10587392 0.69 ADORA2B (0.44)
SCHEMBL20011251 0.67 TRPA1 (0.36) TNF
SCHEMBL20011175 0.67 PARG (0.31) TNF
SCHEMBL1869119 0.67 MEN1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1857037 0.65 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7643090 0.65 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4681916 0.65 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3

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-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 EP disclosed