SCHEMBL25423741

SCHEMBL25423741

COC(=O)CCCC(=O)Oc1cccc2[nH]cc(CCN(C(C)C)C(C)C)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 11/20 0.55
▸ HTR6 P50406 3/20 0.50
▸ MTNR1A P48039 1/20 0.48
▸ MTNR1B P49286 1/20 0.48
▸ HTR1A P08908 4/20 0.47
▸ HTR2C P28335 4/20 0.47
▸ HTR2B P41595 4/20 0.47
▸ HTR1D P28221 2/20 0.46
▸ HTR1B P28222 2/20 0.46
▸ HTR1E P28566 2/20 0.46
▸ HTR7 P34969 2/20 0.46
▸ HTR5A P47898 2/20 0.46
▸ HTR1F P30939 2/20 0.46
▸ HTR3E A5X5Y0 1/20 0.46
▸ HTR3B O95264 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ HTR4 Q13639 1/20 0.46
▸ HTR3D Q70Z44 1/20 0.46
▸ HTR3C Q8WXA8 1/20 0.46
▸ DRD1 P21728 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
SCHEMBL25790828 0.96 HTR2A (0.59) HTR2AHTR6MTNR1AMTNR1BHTR1A
Hydrochloric Acid SCHEMBL31634307 0.95 HTR2A (0.58) HTR2AHTR6MTNR1AMTNR1BHTR1A
SCHEMBL24168355 0.92 HTR2A (0.55) HTR2AHTR6MTNR1AMTNR1BHTR1A
SCHEMBL25425515 0.92 HTR2A (0.55) HTR2AHTR6MTNR1AMTNR1BHTR1A
Methyl Alcohol SCHEMBL25423744 0.91 HTR2A (0.55) HTR2AHTR6MTNR1AMTNR1BHTR1A
Hydrochloric Acid SCHEMBL30498783 0.91 HTR2A (0.55) HTR2AHTR6MTNR1AMTNR1BHTR1A
SCHEMBL25422775 0.90 HTR2A (0.56) HTR2AHTR6MTNR1AMTNR1BHTR1A
Alcohol SCHEMBL25422778 0.90 HTR2A (0.56) HTR2AHTR6MTNR1AMTNR1BHTR1A
SCHEMBL27085129 0.89 HTR2A (0.68) HTR2AHTR6MTNR1AMTNR1BHTR1A
SCHEMBL27084904 0.89 HTR2A (0.58) HTR2AHTR6MTNR1AMTNR1BHTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023108167-A1 PSILOCYBIN DERIVATIVES CAAMTECH, INC. (US) 2023-06-15 — — WO claimed
WO-2023108167-A1 PSILOCYBIN DERIVATIVES CAAMTECH, INC. (US) 2023-06-15 — — WO disclosed
WO-2023108167-A1 PSILOCYBIN DERIVATIVES CAAMTECH, INC. (US) 2023-06-15 — — WO disclosed
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