SCHEMBL4430440

SCHEMBL4430440

O=C(NC1CCN(C(I)c2ccccc2)CC1)c1ccc(OC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.59
SIGMAR1 Q99720 4/20 0.53
POLB P06746 1/20 0.50
UTS2R Q9UKP6 1/20 0.48
SLC6A5 Q9Y345 1/20 0.48
KMT2A Q03164 1/20 0.48
MCHR1 Q99705 3/20 0.47
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
LMNA P02545 1/20 0.46
SLC6A12 P48065 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
DRD2 P14416 1/20 0.46
CCR2 P41597 1/20 0.45

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
SCHEMBL2388839 0.91 DRD4 (0.68) DRD4SIGMAR1POLBUTS2RSLC6A5
SCHEMBL4441069 0.87 UTS2R (0.61) SIGMAR1POLBUTS2RKMT2AMCHR1
SCHEMBL2390049 0.84 DRD4 (0.67) DRD4SIGMAR1POLBUTS2RSLC6A5
SCHEMBL2389006 0.83 DRD4 (0.68) DRD4SIGMAR1UTS2RSLC6A5KMT2A
SCHEMBL2390109 0.82 POLB (0.56) DRD4SIGMAR1POLBUTS2RKMT2A
SCHEMBL4435309 0.82 POLB (0.61) DRD4SIGMAR1POLBUTS2RKMT2A
SCHEMBL2388674 0.81 DRD4 (0.59) DRD4SIGMAR1POLBUTS2RSLC6A5
SCHEMBL3668600 0.80 DRD4 (0.52) DRD4SIGMAR1SLC6A5MCHR1UBE2M
SCHEMBL4429895 0.80 UTS2R (0.65) SIGMAR1POLBUTS2RKMT2AMCHR1
SCHEMBL4441461 0.80 KMT2A (0.64) DRD4SIGMAR1KMT2AMCHR1SLC6A12

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