Butane

Butane

SCHEMBL8292425

CCCC.CN1CCC(c2cc3cccc(OC(N)=O)c3o2)CC1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 4/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
ASAH1 Q13510 1/20 0.37
CNR2 P34972 3/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CHRNA7 P36544 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
SCHEMBL8292426 0.84 HPGD (0.42) USP2SLC6A2SLC6A4ALDH1A1KMT2A
SCHEMBL8290869 0.83 ACHE (0.46) USP2SLC6A2SLC6A4ALDH1A1KMT2A
SCHEMBL8300351 0.79 SLC6A2 (0.59) SLC6A2SLC6A4ALDH1A1KMT2AHPGD
SCHEMBL8300989 0.75 QDPR (0.45) SLC6A2SLC6A4ACHEBCHEASAH1
SCHEMBL8695469 0.73 SLC6A2 (0.42) USP2SLC6A2SLC6A4ALDH1A1HPGD
SCHEMBL8290868 0.73 CHRM3 (0.41) ALDH1A1KMT2AHPGDHSD17B10KDM4E
SCHEMBL8292427 0.72 KDM4E (0.39) USP2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL8300836 0.72 ASAH1 (0.45) ACHEBCHEASAH1
SCHEMBL8300839 0.71 ASAH1 (0.37) SLC6A2SLC6A4KDM4EACHEBCHE
SCHEMBL8297441 0.70 ASAH1 (0.37) HPGDHSD17B10ACHEBCHEASAH1

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 3 patents. 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
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 disclosed
EP-0637586-A1 2-(Piperidin-4-yl, pyridin-4-yl and tetrahydropyridin-4-yl)benzofuran-7-ol and carbamate derivatives, their preparation and their use as acetylcholinesterase inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-02-08 EP disclosed