SCHEMBL1668619

SCHEMBL1668619

O=C(CCOCCc1ccc(OCc2ccccc2)c(C2(c3ccccc3)CCNCC2)c1)OC(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.35
FFAR1 O14842 1/20 0.35
TACR1 P25103 6/20 0.35
SLC6A4 P31645 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL1668616 0.89 FFAR4 (0.43) FFAR4FFAR1TACR1
Hydrochloric Acid SCHEMBL1668222 0.81 FFAR1 (0.43) FFAR4FFAR1TACR1
SCHEMBL1670735 0.75 CHRM5 (0.46) FFAR4FFAR1
SCHEMBL12801209 0.75 OPRD1 (0.47) FFAR4TACR1
SCHEMBL12800418 0.74 OPRM1 (0.40) FFAR1TACR1
SCHEMBL12801208 0.73 FFAR4 (0.47) FFAR4FFAR1
SCHEMBL12800828 0.73 OPRD1 (0.39) FFAR4FFAR1TACR1
SCHEMBL1670831 0.73 SMN1; SMN2 (0.36) TACR1
SCHEMBL1670823 0.72 ITGB3 (0.36) TACR1
SCHEMBL1669343 0.71 OPRD1 (0.40) FFAR4FFAR1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011048409-A1 CYCLIC AMINE DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ASTRAZENECA AB (SE) 2011-04-28 WO disclosed