SCHEMBL7711567

SCHEMBL7711567

Cc1cccc(C)c1N1[CH]CN(CC(O)CCOc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
HSP90AB1 P08238 1/20 0.41
MAPT P10636 1/20 0.40
ABCB1 P08183 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LTA4H P09960 1/20 0.39
GAA P10253 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 0.90 MAPT (0.43) MEN1KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL7708651 0.89 CACNA1G (0.43) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7711797 0.82 MEN1 (0.48) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7713731 0.77 ABCB1 (0.42) MEN1KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL7708649 0.77 SLC6A3 (0.45) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7705247 0.76 MEN1 (0.39) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7711760 0.76 MEN1 (0.39) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6768947 0.75 CYP3A4 (0.60) MEN1KMT2ALMNAABCB1
SCHEMBL7705235 0.74 CYP2D6 (0.54) MEN1KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL7705250 0.74 MEN1 (0.38) ALDH1A1MEN1KMT2ALMNASMN1; 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