SCHEMBL4734246

SCHEMBL4734246

CN1CCC(OC(=O)C2(c3ccccc3)CCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.67
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
OPRM1 P35372 2/20 0.54
SLC22A1 O15245 1/20 0.54
SLC6A4 P31645 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
KCNH2 Q12809 1/20 0.54
CHRM4 P08173 2/20 0.53
CHRM5 P08912 2/20 0.53
CHRM1 P11229 2/20 0.53
SCN1A P35498 3/20 0.51
SCN2A Q99250 3/20 0.51
SCN3A Q9NY46 3/20 0.51
SIGMAR1 Q99720 3/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL4734319 0.99 CHRM3 (0.69) CHRM3MEN1KMT2AOPRM1SLC22A1
Hydrochloric Acid SCHEMBL1805907 0.99 CHRM3 (0.65) CHRM3MEN1KMT2AOPRM1SLC22A1
SCHEMBL4733406 0.99 CHRM3 (0.69) CHRM3MEN1KMT2AOPRM1SLC22A1
SCHEMBL4733989 0.99 CHRM3 (0.69) CHRM3MEN1KMT2AOPRM1SLC22A1
Hydrochloric Acid SCHEMBL8097354 0.96 CHRM3 (0.62) CHRM3MEN1KMT2AOPRM1SLC22A1
SCHEMBL14209817 0.92 CHRM3 (0.64) CHRM3MEN1KMT2AOPRM1SLC22A1
Hydrochloric Acid SCHEMBL8110706 0.90 CHRM3 (0.57) CHRM3MEN1KMT2AOPRM1SLC22A1
SCHEMBL18204311 0.86 MEN1 (0.55) CHRM3MEN1KMT2AOPRM1SLC22A1
SCHEMBL8106501 0.85 SCN1A (0.57) CHRM3MEN1KMT2AOPRM1SLC22A1
SCHEMBL9786866 0.84 CHRM3 (0.75) CHRM3MEN1KMT2ACHRM1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5430030-A Nerve gas antidote ARZNEIMITTELWERK DRESDEN GMBH (DE) 1995-07-04 US claimed
WO-2008059239-A1 NOVEL COMPOUNDS 514 ASTRAZENECA AB (SE) 2008-05-22 WO disclosed
WO-2008059239-A1 NOVEL COMPOUNDS 514 ASTRAZENECA AB (SE) 2008-05-22 WO disclosed
US-6891006-B2 Yttrium-based ethylene polymerization catalysts with bulky amidinate ancillary ligands EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-05-10 US disclosed
US-20050013869-A1 Sustained release formulation for carbamates and a method therefor AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2005-01-20 US disclosed
US-5430030-A Nerve gas antidote ARZNEIMITTELWERK DRESDEN GMBH (DE) 1995-07-04 US disclosed
US-5430030-A Nerve gas antidote ARZNEIMITTELWERK DRESDEN GMBH (DE) 1995-07-04 US disclosed
US-5298504-A Pyridostigmine, diazepam orclonazepam and arnepal, sycotrol, caramiphen or benactyzine ARZNEIMITTELWERK DRESDEN GMBH (DE) 1994-03-29 US disclosed