SCHEMBL3722977

SCHEMBL3722977

[CH]1CCN(C2CCN(C3CCOCC3)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.40
CHRM4 P08173 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM5 P08912 2/20 0.37
CHRM3 P20309 2/20 0.37
KCNH2 Q12809 2/20 0.37
L3MBTL3 Q96JM7 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
PARP1 P09874 1/20 0.35
HRH3 Q9Y5N1 9/20 0.34
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MBTD1 Q05BQ5 1/20 0.32

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
SCHEMBL2694843 0.94 HRH3 (0.33) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL2695536 0.85 SMN1; SMN2 (0.41) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL17075144 0.82 KDM2B (0.31)
SCHEMBL737934 0.80
SCHEMBL18587718 0.78 CHRM2 (0.33) CHRM2CHRM4CHRM1L3MBTL3L3MBTL1
SCHEMBL16877830 0.78
SCHEMBL735446 0.76 SLC18A3 (0.35) KCNH2L3MBTL3L3MBTL1HRH3
SCHEMBL736888 0.76
SCHEMBL4537249 0.75 ALDH1A1 (0.37) L3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL2006246 0.74 SLC18A3 (0.38)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240458-A1 ARYL SULFONAMIDES AS EFFECTIVE ANALGESICS Boehringer Ingelheim International GmbH (DE) 2010-10-20 EP disclosed
WO-2009098051-A1 ARYL SULFONAMIDES AS EFFECTIVE ANALGESICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 WO disclosed