SCHEMBL7708649

SCHEMBL7708649

Cc1cccc(C)c1N1[CH]CN(CC(O)Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.45
SLC6A4 P31645 4/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL7705235 0.87 CYP2D6 (0.54) MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL7711594 0.82 LMNA (0.47) SLC6A3SLC6A4MEN1LMNAKMT2A
SCHEMBL7711760 0.77 MEN1 (0.39) SLC6A3SLC6A4MEN1LMNAKMT2A
SCHEMBL7711567 0.77 CHRNA7 (0.44) MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL7713731 0.76 ABCB1 (0.42) MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL6257638 0.76 CYP2D6 (0.44) SLC6A4MEN1LMNAKMT2A
SCHEMBL9621424 0.76 SLC6A4 (0.68) SLC6A3SLC6A4GRIN2DGRIN3BADRA1D
SCHEMBL7711797 0.75 MEN1 (0.48) MEN1LMNAKMT2ASMN1; SMN2ADRA1A
SCHEMBL7705250 0.75 MEN1 (0.38) SLC6A4MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL7713732 0.75 KMT2A (0.38) SLC6A3SLC6A4MEN1LMNAKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259493-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2002-11-27 EP claimed
WO-2001062744-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 WO claimed
EP-1259493-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2002-11-27 EP disclosed
WO-2001062744-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 WO disclosed