SCHEMBL5712869

SCHEMBL5712869

O=C(O)C(O)(c1ccccc1)c1ccccc1C1CN2CCC1CC2

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.53
CHRM1 P11229 5/20 0.53
CHRM3 P20309 5/20 0.53
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53
LMNA P02545 1/20 0.48
CHRNA7 P36544 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8529199 0.86 CHRM2 (0.47) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL9145091 0.84 CHRM2 (0.46) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL2126334 0.76 CHRM3 (0.52) CHRM2CHRM1CHRM3CHRNA7
SCHEMBL2125963 0.76 CHRM3 (0.52) CHRM2CHRM1CHRM3CHRNA7
Benzylic Acid SCHEMBL27924962 0.74 CHRM3 (0.51) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL1004280 0.74 CHRM3 (0.54) CHRM3
SCHEMBL4971345 0.74 CHRNA7 (0.56) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL4404703 0.73 CYP2C9 (0.40) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL17294705 0.72 ATM (0.50) CHRM3L3MBTL1
SCHEMBL30128750 0.72 ATM (0.50) CHRM3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10330603-B1 Mass produced, low cost, portable test kit for the detection and identification of chemical and biological agents VERITEQUE USA, INC. 2019-06-25 US disclosed
EP-2630966-B1 Vaccine nanotechnology MASSACHUSETTS INST TECHNOLOGY (US) 2017-04-19 EP disclosed
US-20170023547-A1 CHEMICAL THREAT ASSESSMENT BY RAPID MOLECULAR PHENOTYPING VANDERBILT UNIVERSITY 2017-01-26 US disclosed
CN-101365498-A Room decontamination with hydrogen peroxide vapor STERIS INC (US) 2009-02-11 CN disclosed
US-7116415-B2 Method and apparatus for detecting chemical and biological weapon components using Raman spectrum IN TECHNOLOGY HOLDING LLC (US) 2006-10-03 US disclosed
WO-2006085946-A1 METHOD AND APPARATUS FOR DETECTING CHEMICAL AND BIOLOGICAL WEAPON COMPONENTS USING RAMAN SPECTRUM IN TECHNOLOGY HOLDINGS LLC (US) 2006-08-17 WO disclosed
US-20050280814-A1 Method and apparatus for detecting chemical & biological weapon components using Raman spectrum IN TECHNOLOGY HOLDING LLC 2005-12-22 US disclosed
US-4393069-A NEUROLEPTIC AGENTS C. H. BOEHRINGER SOHN (DE) 1983-07-12 US disclosed
EP-0053744-A1 8-Arylalkyl-3-phenyl-3-nortropanols, their acid addition salts, pharmaceutical compositions containing them and processes for their preparation C.H. BOEHRINGER SOHN (DE) 1982-06-16 EP disclosed