SCHEMBL6091146

SCHEMBL6091146

CN(C)C(CCN(OC(=O)C(=O)ON(CCC(c1ccc(Cl)cc1)N(C)C)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 8/20 0.53
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
OPRM1 P35372 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5452756 0.83 UTS2R (0.61) UTS2RCYP2D6CYP2C9CYP2C19
SCHEMBL6093296 0.81 UTS2R (0.54) UTS2RKDM4EALDH1A1
SCHEMBL6094112 0.81 UTS2R (0.56) UTS2RALDH1A1
SCHEMBL6091360 0.80 UTS2R (0.53) UTS2RCYP2D6CYP2C19OPRM1MEN1
SCHEMBL6091970 0.78 UTS2R (0.59) UTS2RCYP2D6CYP2C9CYP2C19OPRM1
SCHEMBL6092652 0.78 UTS2R (0.56) UTS2ROPRM1MEN1RAB9AKMT2A
SCHEMBL6093163 0.76 UTS2R (0.53) UTS2RALDH1A1MEN1RAB9AKMT2A
SCHEMBL6092916 0.74 UTS2R (0.55) UTS2RRAB9A
SCHEMBL5455926 0.69 UTS2R (1.00) UTS2R
SCHEMBL6092345 0.69 CNR1 (0.52) UTS2ROPRM1CHRNB2CHRNB4CHRNA3

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
WO-2006135694-A2 UII-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2006-12-21 WO claimed
WO-2006135694-A2 UII-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2006-12-21 WO disclosed