SCHEMBL21134513

SCHEMBL21134513

CC(=O)N(C)CC1(C)COC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
CHRM1 P11229 2/20 0.33
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL15998885 0.80 EPHX1 (0.40) EPHX1
SCHEMBL11170476 0.78 CHRM1 (0.35) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9941967 0.72
SCHEMBL27284139 0.72
SCHEMBL18925003 0.69
SCHEMBL3462902 0.68 EPHX1 (0.44) EPHX1CHRM1CHRM2CHRM4CHRM5
SCHEMBL17586264 0.68 CHRM1 (0.34) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1247102 0.68 EPHX1 (0.39) EPHX1
SCHEMBL1247100 0.68 EPHX1 (0.39) EPHX1
SCHEMBL30984016 0.67 CHRM1 (0.41) CHRM1CHRM2CHRM4CHRM5CHRM3

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
US-RE47493-E1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-09 US disclosed