SCHEMBL6092302

SCHEMBL6092302

COc1ccc(CCC(=O)NCCC(c2ccc(Cl)cc2)N(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
ATM Q13315 1/20 0.64
UTS2R Q9UKP6 3/20 0.61
POLB P06746 2/20 0.57
OPRM1 P35372 2/20 0.56
OPRD1 P41143 2/20 0.56
ALDH1A1 P00352 3/20 0.54
THRB P10828 1/20 0.53
MEN1 O00255 2/20 0.50
CNR2 P34972 1/20 0.50
CNR1 P21554 1/20 0.48
FPR2 P25090 1/20 0.48

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
SCHEMBL6093300 0.89 ALDH1A1 (0.69) KMT2AATMUTS2RPOLBALDH1A1
SCHEMBL6093716 0.84 UTS2R (0.62) KMT2AATMUTS2RMEN1CNR2
SCHEMBL4729679 0.79 UTS2R (0.61) UTS2ROPRM1OPRD1ALDH1A1
SCHEMBL6092298 0.76 UTS2R (1.00) UTS2R
Hydrochloric Acid SCHEMBL5464571 0.75 UTS2R (0.98) UTS2R
SCHEMBL4730705 0.74 UTS2R (0.65) UTS2RALDH1A1
SCHEMBL6091221 0.74 UTS2R (0.61) KMT2AUTS2ROPRM1MEN1
SCHEMBL2009552 0.73 SLC6A9 (0.79) KMT2AATMUTS2RPOLBALDH1A1
SCHEMBL275229 0.73 POLB (0.80) KMT2AATMPOLBALDH1A1MEN1
SCHEMBL16560992 0.72 KMT2A (0.74) KMT2AATMALDH1A1MEN1CNR1

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