SCHEMBL6189543

SCHEMBL6189543

O=C(O)N1CCC(Cn2c(=O)sc3cc(F)ccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
SHMT2 P34897 1/20 0.39
CNR2 P34972 3/20 0.38

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
SCHEMBL6191400 0.87 CNR2 (0.38) SIGMAR1CNR2
SCHEMBL6188169 0.86 NPY5R (0.46) SIGMAR1
SCHEMBL6192479 0.86 SIGMAR1 (0.45) SIGMAR1CNR2
SCHEMBL6186356 0.86 P2RX3 (0.44) SIGMAR1CNR2
SCHEMBL6189194 0.83 L3MBTL1 (0.52)
SCHEMBL6190546 0.82 CDYL2 (0.49)
SCHEMBL6188923 0.81 HTR2A (0.51) SIGMAR1
SCHEMBL6190959 0.81 NPSR1 (0.42) CNR2
SCHEMBL6190964 0.81 NPSR1 (0.42) CNR2
Hydrochloric Acid SCHEMBL6189799 0.81 HTR2A (0.50) SIGMAR1

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-1043319-B1 NOVEL ALKYLAMINO DERIVATIVES MITSUBISHI CHEM CORP (JP) 2005-03-16 EP disclosed
EP-1043319-A1 NOVEL ALKYLAMINO DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-10-11 EP disclosed