SCHEMBL8300836

SCHEMBL8300836

CN1CCC(c2cc3cccc(CNC(=O)O)c3o2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 11/20 0.45
FAAH O00519 1/20 0.42
NAAA Q02083 1/20 0.42
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
PTGER1 P34995 2/20 0.38
P2RX7 Q99572 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
NMT1 P30419 1/20 0.36

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
SCHEMBL8297441 0.78 ASAH1 (0.37) ASAH1FAAHNAAACHRM2CHRM4
SCHEMBL8300989 0.77 QDPR (0.45) ASAH1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8300839 0.75 ASAH1 (0.37) ASAH1FAAHNAAACHRM4CHRM5
SCHEMBL8290868 0.74 CHRM3 (0.41) ASAH1CHRM3
SCHEMBL8290869 0.73 ACHE (0.46) ASAH1CHRM2CHRM1CHRM3BCHE
SCHEMBL8292426 0.73 HPGD (0.42) ASAH1ACHE
Butane SCHEMBL8292425 0.72 USP2 (0.40) ASAH1BCHEACHE
SCHEMBL8292427 0.72 KDM4E (0.39) ASAH1FAAHNAAAACHE
SCHEMBL8300351 0.71 SLC6A2 (0.59) BCHEACHE
SCHEMBL8297438 0.68 CYP2C9 (0.44)

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-0637586-B1 2-(Piperidin-4-yl, pyridin-4-yl and tetrahydropyridin-4-yl)-benzofuran-7-carbamate derivatives, their preparation and their use as acetylcholinesterase inhibitors HOECHST MARION ROUSSEL INC (US) 1999-06-02 EP claimed