SCHEMBL6192811

SCHEMBL6192811

O=C(CN1CCC(Cn2c(=O)sc3cc([N+](=O)[O-])ccc32)CC1)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDYL2 Q8N8U2 2/20 0.54
CDYL Q9Y232 2/20 0.54
HTR2A P28223 4/20 0.45
HTR2C P28335 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
DRD2 P14416 2/20 0.45
HTR2B P41595 2/20 0.45
HTR1A P08908 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
CBX7 O95931 1/20 0.45
CDY1; CDY1B Q9Y6F8 1/20 0.45
KCNH2 Q12809 2/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
Hydrochloric Acid SCHEMBL6191451 0.99 CDYL2 (0.53) CDYL2CDYLHTR2AHTR2CSIGMAR1
SCHEMBL6188923 0.89 HTR2A (0.51) HTR2AHTR2CSIGMAR1DRD2HTR2B
Hydrochloric Acid SCHEMBL6189799 0.88 HTR2A (0.50) HTR2AHTR2CSIGMAR1DRD2HTR2B
SCHEMBL6189957 0.85 HTR2A (0.48) HTR2AHTR2CSIGMAR1DRD2HTR2B
SCHEMBL6190308 0.85 HTR2A (0.48) HTR2AHTR2CSIGMAR1DRD2HTR2B
Hydrochloric Acid SCHEMBL6190906 0.84 HTR2A (0.47) HTR2AHTR2CSIGMAR1DRD2HTR2B
Hydrochloric Acid SCHEMBL6193126 0.84 HTR2A (0.47) HTR2AHTR2CSIGMAR1DRD2HTR2B
Hydrochloric Acid SCHEMBL6186365 0.84 HTR2A (0.47) HTR2AHTR2CSIGMAR1DRD2HTR2B
SCHEMBL6187442 0.83 GMNN (0.43) CDYL2CDYLSIGMAR1CBX7CDY1; CDY1B
SCHEMBL6187014 0.83 HTR2A (0.56) HTR2AHTR2CSIGMAR1DRD2HTR2B

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