SCHEMBL6581745

SCHEMBL6581745

O=C(O)[C@H](O)[C@@H](O)C(=O)OC1C2(CCCCC2)[C@]1(O)CN1CCN(c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR1A P08908 3/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR7 P34969 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 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
Cadaverine Tartrate SCHEMBL6218477 0.85 MEN1 (0.42) SIGMAR1MEN1KMT2AHTR1AADRA1A
Cadaverine Tartrate SCHEMBL6217849 0.84 MEN1 (0.43) SIGMAR1MEN1KMT2AHTR1AADRA1A
SCHEMBL6581687 0.81 SIGMAR1 (0.42) SIGMAR1MEN1KMT2AHTR1AADRA1A
SCHEMBL6581679 0.81 SIGMAR1 (0.42) SIGMAR1MEN1KMT2AHTR1AADRA1A
SCHEMBL6217147 0.75 MEN1 (0.46) SIGMAR1MEN1KMT2AHTR1AADRA1A
SCHEMBL6217205 0.75 MEN1 (0.46) SIGMAR1MEN1KMT2AHTR1AADRA1A
SCHEMBL6216542 0.74 MEN1 (0.47) SIGMAR1MEN1KMT2AHTR1AADRA1A
SCHEMBL6219114 0.74 MEN1 (0.47) SIGMAR1MEN1KMT2AHTR1AADRA1A
Fumaric Acid SCHEMBL6581608 0.73 HTR7 (0.43) SIGMAR1MEN1KMT2AHTR1AADRA1A
Fumaric Acid SCHEMBL6580691 0.73 HTR7 (0.43) SIGMAR1MEN1KMT2AHTR1AADRA1A

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-1307441-B1 1,3-DIOXOLANES WITH ANTITUSSIVE ACTIVITY DOMPE SPA (IT) 2004-05-06 EP claimed