SCHEMBL11549403

SCHEMBL11549403

ClC1c2ccccc2CCc2sccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
RET P07949 1/20 0.40
ACP3 P15309 1/20 0.38
DRD3 P35462 3/20 0.36
DRD2 P14416 2/20 0.36
DRD1 P21728 2/20 0.36
GID4 Q8IVV7 1/20 0.36
LMNA P02545 1/20 0.36
ADRB2 P07550 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CNR1 P21554 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL440138 0.82 HTR2A (0.54) HTR2ARETACP3IDO1PDPK1
SCHEMBL29793145 0.82 HTR2A (0.54) HTR2ARETACP3IDO1PDPK1
SCHEMBL11555667 0.81 ACP3 (0.42) HTR2ARETACP3DRD3DRD2
SCHEMBL13802872 0.74 HTR2A (0.45) HTR2ARETDRD3DRD2CHRM1
SCHEMBL8353824 0.74 HTR2A (0.45) HTR2ARETDRD3DRD2CHRM1
SCHEMBL15985224 0.73 HTR2A (0.44) HTR2ARETDRD3DRD2HTR1A
SCHEMBL13814261 0.70 RET (0.38) HTR2ARETGID4LMNAIDO1
SCHEMBL15985276 0.70 HTR2A (0.42) HTR2ARETACP3DRD3DRD2
SCHEMBL15219996 0.69 KEAP1 (0.41) DRD3DRD2GID4LMNAADRA2A
SCHEMBL15985234 0.69 HTR2A (0.46) HTR2ARETACP3DRD3DRD2

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
US-4144337-A 1,4-Substituted piperazinyl derivatives useful as psychostimulants SANDOZ LTD. (CH) 1979-03-13 US disclosed