SCHEMBL4447667

SCHEMBL4447667

NS(=O)(=O)N=C1N[C@@H](c2cccc(Oc3cnccn3)c2)CN1c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
P2RX3 P56373 1/20 0.31
FAAH O00519 1/20 0.31
MAOA P21397 1/20 0.30
ACACB O00763 1/20 0.30

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
SCHEMBL3584520 0.82 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3GAAALDH1A1
SCHEMBL13168423 0.82 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3GAAALDH1A1
SCHEMBL3584527 0.82 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3GAAALDH1A1
SCHEMBL4437695 0.76 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3GAAALDH1A1
SCHEMBL3593210 0.74 ALDH1A1 (0.37) SLC6A2SLC6A4SLC6A3GAAALDH1A1
SCHEMBL3593214 0.74 ALDH1A1 (0.37) SLC6A2SLC6A4SLC6A3GAAALDH1A1
SCHEMBL3593208 0.74 ALDH1A1 (0.37) SLC6A2SLC6A4SLC6A3GAAALDH1A1
SCHEMBL4437703 0.72 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3GAAALDH1A1
SCHEMBL4435442 0.71 DRD2 (0.35) GAAMAPTMAPK1CA12CA1
SCHEMBL3582511 0.71 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3GAAALDH1A1

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-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed