SCHEMBL1729311

SCHEMBL1729311

O=C(O)NCCC1CCN(c2cccc(C3CC3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
FFAR4 Q5NUL3 3/20 0.44
CHRM4 P08173 7/20 0.43
ACACB O00763 1/20 0.42
KCNH2 Q12809 1/20 0.41
HSD11B1 P28845 2/20 0.41
ACHE P22303 1/20 0.40
CHRM2 P08172 1/20 0.40
KDM6B O15054 1/20 0.40

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
SCHEMBL1727908 0.95 FFAR4 (0.47) HTR1ADRD2DRD4FFAR4CHRM4
SCHEMBL1728737 0.86 HSD11B1 (0.49) CHRM4HSD11B1ACHECHRM2
SCHEMBL1728425 0.85 HTR1A (0.51) HTR1ADRD2DRD4CHRM4ACACB
SCHEMBL1728924 0.85 CNR1 (0.47) CHRM4ACHE
SCHEMBL3266800 0.81 ACACB (0.40) HTR1ADRD2DRD4FFAR4CHRM4
SCHEMBL14796921 0.81 CHRM4 (0.48) CHRM4ACHE
SCHEMBL1710939 0.81 CYP11B2 (0.45) CHRM4ACHECHRM2
SCHEMBL1710740 0.81 CHRM4 (0.48) HTR1ADRD2DRD4FFAR4CHRM4
SCHEMBL1729627 0.81 CHRM4 (0.43) CHRM4ACACBCHRM2
SCHEMBL14797005 0.80 FFAR4 (0.46) FFAR4CHRM4CHRM2

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
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed