SCHEMBL7705244

SCHEMBL7705244

Cc1cccc(C)c1N1[CH]CN(CC(O)COCC2CCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.53
WDR77 Q9BQA1 3/20 0.53
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
TSHR P16473 1/20 0.40
SCN9A Q15858 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
MAPK1 P28482 2/20 0.38

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
SCHEMBL7705260 0.75 PRMT5 (0.44) PRMT5WDR77MEN1KMT2ALMNA
SCHEMBL7077882 0.75 CYP3A4 (0.61) PRMT5WDR77MEN1KMT2ALMNA
SCHEMBL7708649 0.73 SLC6A3 (0.45) MEN1KMT2ALMNASMN1; SMN2DRD2
SCHEMBL7705235 0.71 CYP2D6 (0.54) MEN1KMT2ALMNASMN1; SMN2CYP2D6
SCHEMBL7711594 0.70 LMNA (0.47) MEN1KMT2ALMNASMN1; SMN2NPY1R
SCHEMBL7713731 0.69 ABCB1 (0.42) MEN1KMT2ALMNASMN1; SMN2CYP2D6
SCHEMBL7708678 0.69 MAPT (0.43) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL15943831 0.69 PRMT5 (1.00) PRMT5WDR77CYP2D6CYP2C19
SCHEMBL7708651 0.69 CACNA1G (0.43) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL7711797 0.69 MEN1 (0.48) MEN1KMT2ALMNASMN1; SMN2NPY1R

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