SCHEMBL7358015

SCHEMBL7358015

O=S(=O)(C(CNO)c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.43
DRD2 P14416 5/20 0.39
CNR2 P34972 3/20 0.38
OGA O60502 1/20 0.38
DRD4 P21917 5/20 0.38
GPR119 Q8TDV5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL7356361 0.83 PANK3 (0.39) PANK3DRD2CNR2OGADRD4
SCHEMBL4856131 0.80 PANK3 (0.43) PANK3DRD2CNR2OGADRD4
SCHEMBL4814569 0.73 MMP7 (0.46) PANK3DRD2CNR2OGADRD4
SCHEMBL4754484 0.70 GPR119 (0.54) PANK3DRD2CNR2DRD4GPR119
SCHEMBL7131238 0.68 DRD2 (0.41) PANK3DRD2CNR2DRD4GPR119
SCHEMBL2155271 0.68 GPR119 (0.59) PANK3CNR2GPR119L3MBTL1ALDH1A1
SCHEMBL7364401 0.67 OGA (0.36) OGAKMT2AHTR1AHTR7
SCHEMBL4958636 0.67 GPR119 (0.46) PANK3DRD2CNR2DRD4GPR119
SCHEMBL7150571 0.66 PANK3 (0.43) PANK3DRD2DRD4GPR119ALDH1A1
SCHEMBL7155176 0.65 PANK3 (0.44) PANK3DRD2DRD4GPR119ALDH1A1

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-1109787-A1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) AstraZeneca AB (SE) 2001-06-27 EP disclosed
WO-2000012478-A1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) ASTRAZENECA AB (SE) 2000-03-09 WO disclosed