SCHEMBL3971799

SCHEMBL3971799

CC(=O)C(c1ccc2ccccc2c1)N(Cc1ccccc1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
UTS2R Q9UKP6 2/20 0.44
UGT2B7 P16662 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
MMP9 P14780 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 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
SCHEMBL3978356 0.76 UGT2B7 (0.43) ACHEUTS2RUGT2B7MEN1KMT2A
SCHEMBL3973220 0.76 UGT2B7 (0.43) ACHEUTS2RUGT2B7MEN1KMT2A
SCHEMBL3976615 0.75 SLC6A2 (0.39) ACHEUTS2RUGT2B7MEN1KMT2A
SCHEMBL6091557 0.75 UGT2B7 (0.50) UTS2RUGT2B7MEN1KMT2AMMP9
SCHEMBL3828872 0.75 UGT2B7 (0.46) UTS2RUGT2B7MEN1KMT2ACYP2D6
SCHEMBL8080369 0.70 AOC3 (0.57) UGT2B7MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7055439 0.70 ALDH1A1 (0.45) UTS2RUGT2B7MEN1KMT2ACYP3A4
SCHEMBL15695558 0.70 UGT2B7 (0.60) UGT2B7MMP9TSHR
SCHEMBL2203728 0.69 FFAR1 (0.57) UGT2B7MEN1KMT2ACYP2D6MMP9
SCHEMBL10299134 0.69 PGR (0.41) MEN1KMT2ACYP3A4CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009051661-A2 SUBSTITUTED ARYL ALKYLAMINO-OXY-ANALOGS AND USES THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2009-04-23 WO disclosed