SCHEMBL7708651

SCHEMBL7708651

Cc1cccc(C)c1N1[CH]CN(CC(O)CCOc2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.42
HSP90AB1 P08238 2/20 0.41
MAPT P10636 1/20 0.40
KCNH2 Q12809 1/20 0.40
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 2/20 0.39
ABCB1 P08183 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7708678 0.91 MAPT (0.43) CACNA1GMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7711567 0.89 CHRNA7 (0.44) MEN1KMT2ALMNASMN1; SMN2HSP90AB1
SCHEMBL7711797 0.83 MEN1 (0.48) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL7711760 0.81 MEN1 (0.39) CACNA1GMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7713731 0.78 ABCB1 (0.42) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL7705250 0.77 MEN1 (0.38) MEN1KMT2ALMNASMN1; SMN2ATM
SCHEMBL7705235 0.75 CYP2D6 (0.54) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL6775940 0.75 CYP3A4 (0.61) CACNA1GMEN1KMT2ALMNATSHR
SCHEMBL7705247 0.74 MEN1 (0.39) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL7708649 0.73 SLC6A3 (0.45) MEN1KMT2ALMNASMN1; SMN2

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