SCHEMBL29112596

SCHEMBL29112596

C=CCN(CC)CCc1c[nH]c2cccc(OC(=O)CCCC(=O)O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 13/20 0.54
▸ HTR1A P08908 9/20 0.47
▸ HTR6 P50406 7/20 0.43
▸ HTR2C P28335 6/20 0.43
▸ HTR2B P41595 6/20 0.43
▸ HTR1D P28221 5/20 0.43
▸ HTR1E P28566 5/20 0.43
▸ DRD3 P35462 5/20 0.43
▸ ADRA2A P08913 4/20 0.43
▸ ADRA2B P18089 4/20 0.43
▸ ADRA2C P18825 4/20 0.43
▸ SLC6A4 P31645 4/20 0.43
▸ HRH1 P35367 4/20 0.43
▸ OPRK1 P41145 4/20 0.43
▸ SLC6A3 Q01959 4/20 0.43
▸ SIGMAR1 Q99720 4/20 0.43
▸ SLC6A2 P23975 3/20 0.43
▸ ADRA1A P35348 3/20 0.43
▸ ADRA1B P35368 2/20 0.43
▸ MTNR1A P48039 1/20 0.39

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
SCHEMBL27084849 0.98 HTR2A (0.56) HTR2AHTR1AHTR6HTR2CHTR2B
SCHEMBL27084855 0.94 HTR2A (0.51) HTR2AHTR1AHTR6HTR2CHTR2B
SCHEMBL27084755 0.94 HTR2A (0.53) HTR2AHTR1AHTR6HTR2CHTR2B
SCHEMBL27084793 0.92 HTR2A (0.55) HTR2AHTR1AHTR6HTR2CHTR2B
SCHEMBL27084749 0.91 HTR2A (0.58) HTR2AHTR1AHTR6HTR2CHTR2B
SCHEMBL27084958 0.91 HTR2A (0.49) HTR2AHTR1AHTR6HTR2CHTR2B
SCHEMBL27084980 0.91 HTR2A (0.55) HTR2AHTR1AHTR6HTR2CHTR2B
SCHEMBL27084834 0.89 HTR2A (0.54) HTR2AHTR1AHTR6HTR2CHTR2B
SCHEMBL29112599 0.89 HTR2A (0.60) HTR2AHTR1AHTR6HTR2CHTR2B
SCHEMBL27084672 0.89 HTR2A (0.56) HTR2AHTR1AHTR6HTR2CHTR2B

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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