SCHEMBL1728735

SCHEMBL1728735

O=C(O)NCCN1CCN(c2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.49
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
SLC6A7 Q99884 1/20 0.46
ABL1 P00519 1/20 0.45
PIM1 P11309 2/20 0.44
DYRK1A Q13627 1/20 0.43
CHRM4 P08173 2/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD3 P35462 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
DHODH Q02127 1/20 0.41

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
SCHEMBL1727526 0.89 HRH2 (0.47) DRD4CHRM4CHRM2CHRM1HTR1A
SCHEMBL1728732 0.88 DRD4 (0.62) DRD4DRD3
SCHEMBL15662183 0.86 CHRM4 (0.56) CHRM4CHRM2CHRM1PDE4APDE4B
SCHEMBL1727394 0.84 HTR1A (0.46) DRD4SLC6A7ABL1PIM1CHRM4
SCHEMBL1729393 0.82 CNR2 (0.56) DRD4DYRK1AHTR1AHTR2ASLC6A4
SCHEMBL1728819 0.81 SLC6A7 (0.43) DRD4GRIN1GRIN2BSLC6A7PIM1
SCHEMBL1729203 0.81 GRIN1 (0.42) DRD4GRIN1GRIN2BSLC6A7PIM1
SCHEMBL1727411 0.80 DRD4 (0.47) DRD4SLC6A7CHRM4HTR1AHTR2A
SCHEMBL1729537 0.78 DRD4 (0.55) DRD4
SCHEMBL1727631 0.78 HTR1A (0.48) DRD4ABL1CHRM4HTR1AHTR2A

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