SCHEMBL20055272

SCHEMBL20055272

CC(=O)N1CCCC1NN

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 9/20 0.39
▸ CHRM4 P08173 9/20 0.39
▸ CHRM5 P08912 9/20 0.39
▸ CHRM1 P11229 9/20 0.39
▸ CHRM3 P20309 9/20 0.39
▸ PREP P48147 1/20 0.38
▸ FAP Q12884 1/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ EPHX1 P07099 1/20 0.37

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
SCHEMBL6316031 0.82 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27879636 0.77 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21319546 0.77 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29588126 0.76 HTT (0.37) FAP
SCHEMBL12208420 0.74 CYP3A4 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17069029 0.73 F2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18829621 0.73 MEN1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23785996 0.72 — —
SCHEMBL1918512 0.72 — —
SCHEMBL19527997 0.71 HCRTR2 (0.37) 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-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 — — EP disclosed
Send feedback