SCHEMBL10964017

SCHEMBL10964017

CN(CCCC(=O)c1ccc(F)cc1)CCN1CCC(Oc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.54
CHRM2 P08172 2/20 0.53
HTR1A P08908 2/20 0.53
ADRA2A P08913 2/20 0.53
DRD1 P21728 2/20 0.53
ADRA1A P35348 2/20 0.53
DRD3 P35462 2/20 0.53
KCNH2 Q12809 2/20 0.53
HRH3 Q9Y5N1 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
OPRM1 P35372 1/20 0.53
HTR2A P28223 2/20 0.51
TSHR P16473 1/20 0.49
MLNR O43193 1/20 0.48
LMNA P02545 1/20 0.48
PGR P06401 1/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
Hydrochloric Acid SCHEMBL10963435 0.99 DRD2 (0.53) DRD2CHRM2HTR1AADRA2ADRD1
SCHEMBL10962499 0.95 DRD3 (0.56) DRD2CHRM2HTR1AADRA2ADRD1
Hydrochloric Acid SCHEMBL10997890 0.94 DRD3 (0.55) DRD2CHRM2HTR1AADRA2ADRD1
SCHEMBL11001353 0.90 DRD2 (0.56) DRD2CHRM2HTR1AADRA2ADRD1
SCHEMBL10962088 0.90 DRD2 (0.49) DRD2CHRM2HTR1AADRA2ADRD1
Hydrochloric Acid SCHEMBL10962413 0.90 DRD2 (0.55) DRD2CHRM2HTR1AADRA2ADRD1
SCHEMBL10963882 0.89 CHRM2 (0.52) DRD2CHRM2HTR1AADRA2ADRD1
Hydrochloric Acid SCHEMBL10963039 0.89 DRD2 (0.49) DRD2CHRM2HTR1AADRA2ADRD1
SCHEMBL10967236 0.89 DRD2 (0.49) DRD2CHRM2HTR1AADRA2ADRD1
Hydrochloric Acid SCHEMBL10965760 0.89 CHRM2 (0.51) DRD2CHRM2HTR1AADRA2ADRD1

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-0158283-A2 Substituted 1-aminoalkylamino-4-aryloxypiperidines, a process for their preparation, intermediates thereof, and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-10-16 EP disclosed