SCHEMBL4435309

SCHEMBL4435309

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
UTS2R Q9UKP6 7/20 0.57
MCHR1 Q99705 4/20 0.54
SIGMAR1 Q99720 3/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
DRD4 P21917 1/20 0.48
HTR1A P08908 1/20 0.48
CYP2D6 P10635 1/20 0.48
DRD2 P14416 1/20 0.48
HTR1D P28221 1/20 0.48
HTR2C P28335 1/20 0.48
HTR1F P30939 1/20 0.48
HTR2B P41595 1/20 0.48
HTR6 P50406 1/20 0.48
CYP3A43 Q9HB55 1/20 0.48
SLC6A12 P48065 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47

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 0.92 UTS2R (0.65) POLBUTS2RMCHR1SIGMAR1KMT2A
SCHEMBL2388998 0.91 POLB (0.71) POLBUTS2RMCHR1SIGMAR1KMT2A
SCHEMBL4441069 0.90 UTS2R (0.61) POLBUTS2RMCHR1SIGMAR1KMT2A
SCHEMBL2389969 0.84 POLB (0.73) POLBUTS2RMCHR1SIGMAR1KMT2A
SCHEMBL2389088 0.83 SIGMAR1 (0.69) POLBUTS2RMCHR1SIGMAR1KMT2A
SCHEMBL2387749 0.83 UTS2R (0.70) POLBUTS2RMCHR1SIGMAR1KMT2A
SCHEMBL2389013 0.83 UTS2R (0.71) UTS2RMCHR1SIGMAR1KMT2AMEN1
SCHEMBL4430440 0.82 DRD4 (0.59) POLBUTS2RMCHR1SIGMAR1KMT2A
SCHEMBL2387819 0.81 SIGMAR1 (0.63) POLBUTS2RMCHR1SIGMAR1KMT2A
SCHEMBL2391006 0.81 POLB (0.74) POLBUTS2RMCHR1SIGMAR1KMT2A

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