SCHEMBL3770125

SCHEMBL3770125

CCC(=O)OC1CCCCN1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
SLC6A3 Q01959 5/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 3/20 0.36
NAAA Q02083 2/20 0.36
FDPS P14324 1/20 0.36
EPHX1 P07099 1/20 0.34
CCR2 P41597 1/20 0.33
DHFR P00374 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
SCHEMBL27505359 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3SLC6A3
SCHEMBL29068676 0.98 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3SLC6A3
SCHEMBL27356886 0.94 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3SLC6A3
Hydrochloric Acid SCHEMBL2084227 0.92 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3SLC6A3
Hydrochloric Acid SCHEMBL30940304 0.84 NAAA (0.44) SLC6A3SLC6A2SLC6A4NAAAFDPS
Butane SCHEMBL6737294 0.81 SLC6A3 (0.35) SLC6A3SLC6A2SLC6A4NAAAEPHX1
SCHEMBL9205691 0.79 NAAA (0.42) NAAA
SCHEMBL28814215 0.79 NAAA (0.35) CHRM2CHRM4CHRM1CHRM3SLC6A3
SCHEMBL21462085 0.79 NAAA (0.50) NAAAFDPSCCR2
SCHEMBL28112684 0.79 FDPS (0.35) CHRM2CHRM4CHRM1CHRM3SLC6A3

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
US-20100310745-A1 FLAVORING COMPOSITIONS FOR SAVORY APPLICATIONS FIRMENICH SA (CH) 2010-12-09 US claimed
US-20100310745-A1 FLAVORING COMPOSITIONS FOR SAVORY APPLICATIONS FIRMENICH SA (CH) 2010-12-09 US disclosed