SCHEMBL29112608

SCHEMBL29112608

CC1OC(Oc2cccc3[nH]cc(CCN(C)C(C)C)c23)C(O)C(O)C1O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 18/20 0.52
▸ SLC5A1 P13866 11/20 0.52
▸ HTR6 P50406 1/20 0.46
▸ HTR1A P08908 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44

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
SCHEMBL27084686 0.91 SLC5A2 (0.53) SLC5A2SLC5A1HTR6HTR1AHTR2A
SCHEMBL27084669 0.90 HTR6 (0.58) SLC5A2SLC5A1HTR6HTR1AHTR2A
SCHEMBL26790367 0.90 SLC5A2 (0.66) SLC5A2SLC5A1
SCHEMBL27084837 0.90 SLC5A2 (0.52) SLC5A2SLC5A1HTR6
SCHEMBL27084726 0.90 SLC5A2 (0.66) SLC5A2SLC5A1
SCHEMBL26790344 0.90 SLC5A2 (0.66) SLC5A2SLC5A1
SCHEMBL27085009 0.87 SLC5A2 (0.54) SLC5A2SLC5A1HTR6HTR1AHTR2A
SCHEMBL27085121 0.86 SLC5A2 (0.55) SLC5A2SLC5A1HTR6HTR1A
SCHEMBL27085141 0.86 SLC5A2 (0.51) SLC5A2SLC5A1HTR6HTR1AHTR2A
SCHEMBL27085022 0.85 SLC5A2 (0.56) SLC5A2SLC5A1HTR6HTR1A

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
CN-117120415-A Modified indole alkaloids for therapeutic use 指南针探路者有限公司 2023-11-24 — — CN disclosed
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