SCHEMBL6090694

SCHEMBL6090694

Cc1ccccc1NC(=O)OCCC(c1ccc(Cl)cc1)N(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.60
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL6091406 0.79 UTS2R (0.62) UTS2RCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6092440 0.79 UTS2R (0.62) UTS2RCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6091360 0.78 UTS2R (0.53) UTS2RL3MBTL1HTTNPSR1CYP1A2
SCHEMBL6091970 0.78 UTS2R (0.59) UTS2RCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6092762 0.77 UTS2R (0.60) UTS2RNPC1RAB9AL3MBTL1MEN1
SCHEMBL6092713 0.76 UTS2R (0.61) UTS2RCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6093310 0.76 UTS2R (0.63) UTS2RNPC1RAB9AL3MBTL1HTT
SCHEMBL6094333 0.76 UTS2R (0.61) UTS2RNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL5459489 0.75 UTS2R (1.00) UTS2R
SCHEMBL6091193 0.72 UTS2R (0.58) UTS2RCHRNB2CHRNB4CHRNA3CHRNA4

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