SCHEMBL6151062

SCHEMBL6151062

COc1ccc(C[N]N2CCC(O)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.42
CNR2 P34972 2/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MIF P14174 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
GRM3 Q14832 1/20 0.39

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
SCHEMBL6142919 0.91 GRM3 (0.44) GAAHPGDSMN1; SMN2SIGMAR1MIF
SCHEMBL22488321 0.76 ALDH1A1 (0.57) OPRK1SMN1; SMN2SIGMAR1
SCHEMBL13650590 0.76 ALDH1A1 (0.57) OPRK1SMN1; SMN2SIGMAR1
SCHEMBL22488317 0.76 ALDH1A1 (0.57) OPRK1SMN1; SMN2SIGMAR1
SCHEMBL6795794 0.73 SIGMAR1 (0.64) SIGMAR1HRH3
SCHEMBL6800161 0.73 SIGMAR1 (0.64) SIGMAR1HRH3
SCHEMBL6795798 0.73 SIGMAR1 (0.64) SIGMAR1HRH3
SCHEMBL6151064 0.72 MEN1 (0.46) OPRK1GAAHPGDSMN1; SMN2HRH3
SCHEMBL2390775 0.72 MEN1 (0.68) SMN1; SMN2SIGMAR1HRH3
SCHEMBL6796838 0.71 SIGMAR1 (0.57) OPRK1GAASIGMAR1HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021186-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS INC (US) 2005-06-29 EP disclosed