SCHEMBL6581679

SCHEMBL6581679

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
HTR7 P34969 7/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1A P08908 2/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.39
GFER P55789 1/20 0.39
POLB P06746 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 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
SCHEMBL6581687 1.00 SIGMAR1 (0.42) SIGMAR1HTR7MEN1KMT2AHTR1A
Maleic Acid SCHEMBL6583290 0.86 HTR7 (0.43) SIGMAR1HTR7MEN1KMT2AHTR1A
Fumaric Acid SCHEMBL6580691 0.86 HTR7 (0.43) SIGMAR1HTR7MEN1KMT2AHTR1A
Fumaric Acid SCHEMBL6581608 0.86 HTR7 (0.43) SIGMAR1HTR7MEN1KMT2AHTR1A
SCHEMBL6581745 0.81 SIGMAR1 (0.43) SIGMAR1HTR7MEN1KMT2AHTR1A
SCHEMBL6217205 0.77 MEN1 (0.46) SIGMAR1HTR7MEN1KMT2AHTR1A
SCHEMBL6217147 0.77 MEN1 (0.46) SIGMAR1HTR7MEN1KMT2AHTR1A
SCHEMBL6219114 0.75 MEN1 (0.47) SIGMAR1HTR7MEN1KMT2AHTR1A
SCHEMBL6216542 0.75 MEN1 (0.47) SIGMAR1HTR7MEN1KMT2AHTR1A
Cadaverine Tartrate SCHEMBL6218477 0.74 MEN1 (0.42) SIGMAR1HTR7MEN1KMT2AHTR1A

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