SCHEMBL29261913

SCHEMBL29261913

COc1ccc2c(c1)c(CCN(C)C)c(N(C)C)n2C(=O)OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 14/20 0.47
▸ HTR1A P08908 2/20 0.46
▸ HTR1D P28221 2/20 0.46
▸ HTR1E P28566 2/20 0.46
▸ HTR7 P34969 2/20 0.46
▸ HTR5A P47898 2/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ ALOX5 P09917 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 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
SCHEMBL30485892 0.69 HTR6 (0.74) HTR6HTR1AHTR1DHTR1EHTR7
SCHEMBL24878174 0.69 HTR6 (0.74) HTR6HTR1AHTR1DHTR1EHTR7
SCHEMBL30485879 0.68 MTNR1A (0.80) HTR6HTR1AHTR1DHTR1EHTR7
SCHEMBL24877705 0.68 MTNR1A (0.80) HTR6HTR1AHTR1DHTR1EHTR7
SCHEMBL5093053 0.67 HTR6 (0.64) HTR6HTR1AHTR1DHTR1EHTR7
SCHEMBL30808118 0.67 HTR6 (0.69) HTR6HTR1AHTR1DHTR1EHTR7
SCHEMBL24877778 0.67 HTR6 (0.64) HTR6HTR1AHTR1DHTR1EHTR7
SCHEMBL24877632 0.67 HTR6 (0.75) HTR6HTR1AHTR1DHTR1EHTR7
SCHEMBL2758313 0.67 HTR6 (0.54) HTR6HTR1AHTR1DHTR1EHTR7
SCHEMBL30859492 0.67 HTR6 (0.75) HTR6HTR1AHTR1DHTR1EHTR7

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-117956991-A N, N-dimethyltryptamine and related hallucinogens and uses thereof 人类生物科学股份有限公司 2024-04-30 — — CN disclosed
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