SCHEMBL7705250

SCHEMBL7705250

Cc1cccc(C)c1N1[CH]CN(CC(O)CCCc2ccccc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CARM1 Q86X55 1/20 0.33
MC4R P32245 2/20 0.33
ATM Q13315 1/20 0.33
HTR2A P28223 3/20 0.33
SLC6A4 P31645 3/20 0.33
HTR2C P28335 2/20 0.33
ABCB1 P08183 2/20 0.33
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32

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
SCHEMBL7711760 0.94 MEN1 (0.39) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL7705247 0.81 MEN1 (0.39) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL7713731 0.78 ABCB1 (0.42) MEN1KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL7708651 0.77 CACNA1G (0.43) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL7708649 0.75 SLC6A3 (0.45) MEN1KMT2ALMNASMN1; SMN2SLC6A4
SCHEMBL6281680 0.75 CYP3A4 (0.56) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL7711594 0.74 LMNA (0.47) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL7711567 0.74 CHRNA7 (0.44) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL7711797 0.73 MEN1 (0.48) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL7705235 0.71 CYP2D6 (0.54) MEN1KMT2ALMNASMN1; SMN2MAPK1

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 2 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 disclosed
WO-2001062744-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 WO disclosed