SCHEMBL4789741

SCHEMBL4789741

O=S(=O)(NCc1cnn[nH]1)N1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.43
GPR119 Q8TDV5 1/20 0.40
DRD4 P21917 5/20 0.39
ALDH1A1 P00352 2/20 0.39
CNR2 P34972 1/20 0.39
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR7 P34969 2/20 0.38
DRD3 P35462 2/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
PANK3 Q9H999 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL4789118 0.84 KDM4E (0.53) GPR119ALDH1A1L3MBTL1
SCHEMBL5020141 0.77 GPR119 (0.41) DRD2GPR119DRD4CNR2KMT2A
SCHEMBL4750360 0.74 FPR2 (0.48) KMT2A
SCHEMBL2155271 0.73 GPR119 (0.59) GPR119ALDH1A1CNR2KMT2AL3MBTL1
SCHEMBL4754484 0.73 GPR119 (0.54) DRD2GPR119DRD4ALDH1A1CNR2
SCHEMBL30567210 0.68 DEGS1 (0.55) DRD2GPR119DRD4CNR2KMT2A
SCHEMBL22581718 0.68 DEGS1 (0.55) DRD2GPR119DRD4CNR2KMT2A
SCHEMBL26758698 0.68 KMT2A (0.45) DRD2GPR119DRD4CNR2KMT2A
SCHEMBL4789296 0.67 GPR119 (0.43) DRD2GPR119DRD4CNR2KMT2A
SCHEMBL4958636 0.67 GPR119 (0.46) DRD2GPR119DRD4ALDH1A1CNR2

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
WO-2008147763-A1 MMP INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-12-04 WO claimed
WO-2008147763-A1 MMP INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-12-04 WO disclosed