SCHEMBL4441069

SCHEMBL4441069

O=C(NC1CCN(C(I)c2ccccc2)CC1)c1ccc(OC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 10/20 0.61
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
POLB P06746 1/20 0.53
HTR1A P08908 1/20 0.51
CYP2D6 P10635 1/20 0.51
DRD2 P14416 1/20 0.51
HTR1D P28221 1/20 0.51
HTR2C P28335 1/20 0.51
HTR1F P30939 1/20 0.51
HTR2B P41595 1/20 0.51
HTR6 P50406 1/20 0.51
CYP3A43 Q9HB55 1/20 0.51
MCHR1 Q99705 3/20 0.50
SIGMAR1 Q99720 2/20 0.49

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
SCHEMBL4429895 0.93 UTS2R (0.65) UTS2RKMT2AMEN1POLBHTR1A
SCHEMBL2390938 0.91 UTS2R (0.72) UTS2RKMT2AMEN1POLBHTR1A
SCHEMBL4435309 0.90 POLB (0.61) UTS2RKMT2AMEN1POLBHTR1A
SCHEMBL4430440 0.87 DRD4 (0.59) UTS2RKMT2APOLBDRD2MCHR1
SCHEMBL2390504 0.86 POLB (0.64) UTS2RKMT2AMEN1POLBHTR1A
SCHEMBL2390109 0.84 POLB (0.56) UTS2RKMT2AMEN1POLBMCHR1
SCHEMBL2387674 0.83 POLB (0.64) UTS2RKMT2AMEN1POLBDRD2
SCHEMBL2389976 0.83 UTS2R (0.78) UTS2RKMT2AMEN1POLBHTR1A
SCHEMBL2389969 0.82 POLB (0.73) UTS2RKMT2AMEN1POLBMCHR1
SCHEMBL2389917 0.82 MCHR1 (0.70) UTS2RKMT2AMEN1POLBDRD2

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
EP-2079694-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE Rigel Pharmaceuticals, Inc. (US) 2009-07-22 EP claimed
WO-2008083124-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO claimed