SCHEMBL4428825

SCHEMBL4428825

O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(OC2CCN(CCc3ccccc3)CC2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.61
UTS2R Q9UKP6 2/20 0.60
SLC6A12 P48065 3/20 0.59
SIGMAR1 Q99720 3/20 0.59
MCHR1 Q99705 2/20 0.59
TMEM97 Q5BJF2 2/20 0.59
POLB P06746 1/20 0.58
SLC6A13 Q9NSD5 2/20 0.57
KMT2A Q03164 3/20 0.56
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.54

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
SCHEMBL2389917 0.91 MCHR1 (0.70) DRD4UTS2RSLC6A12SIGMAR1MCHR1
SCHEMBL2387674 0.90 POLB (0.64) DRD4UTS2RSLC6A12SIGMAR1MCHR1
SCHEMBL12227453 0.90 POLB (0.61) DRD4UTS2RSLC6A12SIGMAR1MCHR1
SCHEMBL4441428 0.90 SLC6A12 (0.60) DRD4UTS2RSLC6A12SIGMAR1MCHR1
SCHEMBL2389969 0.89 POLB (0.73) DRD4UTS2RSLC6A12SIGMAR1MCHR1
SCHEMBL2388982 0.89 DRD4 (0.64) DRD4UTS2RSLC6A12SIGMAR1MCHR1
SCHEMBL2386397 0.89 SIGMAR1 (0.59) DRD4UTS2RSLC6A12SIGMAR1MCHR1
SCHEMBL2390938 0.88 UTS2R (0.72) DRD4UTS2RSLC6A12SIGMAR1MCHR1
SCHEMBL2390049 0.88 DRD4 (0.67) DRD4UTS2RSLC6A12SIGMAR1MCHR1
SCHEMBL2386411 0.87 DRD4 (0.66) DRD4UTS2RSLC6A12SIGMAR1MCHR1

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 disclosed
WO-2008083124-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed