SCHEMBL30630340

SCHEMBL30630340

CC1OC(Oc2cccc3c(CCN4CCCC4)c[nH]c23)C(O)C(O)C1O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 6/20 0.41
▸ MPO P05164 1/20 0.41
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ HTR1D P28221 3/20 0.38
▸ HTR1B P28222 3/20 0.38
▸ FTO Q9C0B1 1/20 0.38
▸ SLC5A1 P13866 4/20 0.37
▸ SLC5A2 P31639 4/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 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
SCHEMBL27085232 1.00 HTR2A (0.41) HTR2AMPOHTR2CHTR2BHRH3
SCHEMBL27085169 0.88 ATM (0.51) SLC5A1SLC5A2ATM
SCHEMBL27084728 0.84 HTR2A (0.54) HTR2AHTR2CHTR2BSLC5A1SLC5A2
SCHEMBL27085236 0.83 HTR6 (0.58) HTR2AMPOHTR2CHTR2BHTR1B
SCHEMBL27085000 0.81 HTR6 (0.47) HTR2ASLC5A1SLC5A2HTR6ATM
SCHEMBL27085103 0.81 HTR6 (0.45) HTR2AMPOHTR1DSLC5A1SLC5A2
SCHEMBL27084718 0.81 HTR6 (0.45) HTR2ASLC5A1SLC5A2HTR6ATM
SCHEMBL27084990 0.80 HTR6 (0.44) HTR2ASLC5A1SLC5A2HTR6ATM
SCHEMBL27084673 0.80 HTR6 (0.44) HTR2AHTR1DSLC5A1SLC5A2HTR6
SCHEMBL30630312 0.80 MTNR1A (0.62) MPOHTR2BHRH3MTNR1AMTNR1B

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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