SCHEMBL1670818

SCHEMBL1670818

O=C(O)CCOCCc1ccc(O)c(C2(c3ccccc3)CN(C3CCC3)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.37
APP P05067 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
OPRM1 P35372 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RXRA P19793 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ERCC1 P07992 1/20 0.32
ERCC4 Q92889 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL1668421 0.98 FFAR4 (0.37) FFAR4APPPOLBPKMOPRM1
SCHEMBL12800404 0.85 CHRM5 (0.40) APPOPRM1RXRACHRM5CHRM1
SCHEMBL1668622 0.85 OPRD1 (0.36) FFAR4APPOPRM1
SCHEMBL1668419 0.83 RXRA (0.38) FFAR4APPOPRM1KDM4ERXRA
SCHEMBL1668486 0.82 SMN1; SMN2 (0.43) FFAR4APPOPRM1RXRACHRM5
SCHEMBL1668599 0.81 RXRA (0.38) FFAR4APPOPRM1RXRACHRM5
SCHEMBL12800792 0.81 SMN1; SMN2 (0.31) POLBPKMOPRM1KDM4ELMNA
SCHEMBL12800812 0.80 LMNA (0.32) POLBPKMOPRM1KDM4ELMNA
SCHEMBL12801191 0.80 CHRM5 (0.46) APPOPRM1RXRACHRM5CHRM1
SCHEMBL12800418 0.80 OPRM1 (0.40) APPOPRM1RXRA

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