SCHEMBL24645797

SCHEMBL24645797

c1ccc(COC[C@H]2O[C@@H](Sc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.48
▸ NT5E P21589 1/20 0.45
▸ TACR2 P21452 2/20 0.44
▸ SSTR1 P30872 1/20 0.44
▸ SSTR2 P30874 1/20 0.44
▸ SSTR4 P31391 1/20 0.44
▸ SSTR3 P32745 1/20 0.44
▸ SSTR5 P35346 1/20 0.44
▸ PTPN1 P18031 7/20 0.42
▸ CDC25B P30305 6/20 0.42
▸ BCHE P06276 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ PTPN2 P17706 3/20 0.42
▸ PTPN11 Q06124 3/20 0.42
▸ PTPN6 P29350 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ GJB2 P29033 1/20 0.41

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
SCHEMBL21020652 1.00 HTR1A (0.48) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL1170781 0.99 HTR1A (0.47) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL8137175 0.99 HTR1A (0.47) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL18464593 0.99 HTR1A (0.47) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL16237994 0.99 HTR1A (0.47) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL1029965 0.99 HTR1A (0.47) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL5515020 0.99 HTR1A (0.47) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL14429227 0.99 HTR1A (0.47) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL7027519 0.90 SSTR4 (0.44) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL5688991 0.90 SSTR4 (0.47) HTR1ANT5ETACR2SSTR1SSTR2

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-3053875-B1 FLUORINATING AGENT DAIKIN IND LTD (JP) 2022-09-28 — — EP disclosed
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