SCHEMBL30630407

SCHEMBL30630407

CC1OC(Oc2ccc3[nH]cc(CCN4CCCC4)c3c2)C(O)C(O)C1O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.61
▸ MPO P05164 3/20 0.54
▸ HTR1D P28221 9/20 0.52
▸ HTR1B P28222 9/20 0.52
▸ HTR1A P08908 4/20 0.48
▸ BRD4 O60885 1/20 0.46

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
SCHEMBL27084969 1.00 HTR2A (0.61) HTR2AMPOHTR1DHTR1BHTR1A
SCHEMBL27084864 0.92 HTR2A (0.50) HTR2AMPOHTR1DHTR1BHTR1A
SCHEMBL27085209 0.87 HTR2A (0.57) HTR2AMPOHTR1DHTR1BHTR1A
SCHEMBL27085194 0.83 HTR1D (0.58) HTR2AMPOHTR1DHTR1BHTR1A
SCHEMBL27084908 0.81 HTR1A (0.59) HTR2AMPOHTR1DHTR1BHTR1A
SCHEMBL27084824 0.81 HTR1D (0.45) HTR2AMPOHTR1DHTR1BHTR1A
SCHEMBL27084794 0.80 HTR1D (0.54) HTR2AMPOHTR1DHTR1BHTR1A
SCHEMBL27084738 0.80 HTR2A (0.54) HTR2AHTR1DHTR1BHTR1A
SCHEMBL27085137 0.80 HTR1D (0.46) HTR2AHTR1DHTR1BHTR1A
SCHEMBL30630322 0.80 MTNR1A (0.62) MPOHTR1A

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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