SCHEMBL6092345

SCHEMBL6092345

CN(C)C(CCNC(=O)C(OC(=O)C(=O)OC(C(=O)NCCC(c1ccc(Cl)cc1)N(C)C)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.52
UTS2R Q9UKP6 5/20 0.48
KLK7 P49862 4/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
CNR2 P34972 4/20 0.44
CASR P41180 1/20 0.43
OPRM1 P35372 2/20 0.42
KMT2A Q03164 2/20 0.41
OPRD1 P41143 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL5465030 0.76 UTS2R (0.81) UTS2R
SCHEMBL4730538 0.74 CNR1 (0.40) CNR1UTS2RCHRNB2CHRNB4CHRNA3
SCHEMBL3660216 0.73 DRD2 (0.46) CNR1UTS2ROPRM1KMT2AMEN1
SCHEMBL4732737 0.73 UTS2R (0.61) UTS2R
SCHEMBL4729141 0.72 TMEM97 (0.55) UTS2ROPRM1KMT2AOPRD1
SCHEMBL10693205 0.72 KLK7 (0.53) CNR1KLK7CNR2KMT2A
SCHEMBL4731502 0.72 UTS2R (0.55) UTS2RKMT2AMEN1
SCHEMBL6093119 0.70 OPRM1 (0.43) UTS2ROPRM1KMT2AOPRD1MEN1
SCHEMBL6091970 0.70 UTS2R (0.59) UTS2RCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9502645 0.69 PKM (0.59) KLK7KMT2AMEN1

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