SCHEMBL29832041

SCHEMBL29832041

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 11/20 0.70
▸ HTR1A P08908 5/20 0.51
▸ HTR1B P28222 3/20 0.51
▸ HTR2C P28335 4/20 0.47
▸ HTR2B P41595 4/20 0.47
▸ HTR6 P50406 3/20 0.46
▸ HTR1D P28221 2/20 0.45
▸ HTR1E P28566 2/20 0.45
▸ HTR7 P34969 2/20 0.45
▸ HTR5A P47898 2/20 0.45
▸ HTR3E A5X5Y0 1/20 0.45
▸ HTR3B O95264 1/20 0.45
▸ HTR1F P30939 1/20 0.45
▸ HTR3A P46098 1/20 0.45
▸ HTR4 Q13639 1/20 0.45
▸ HTR3D Q70Z44 1/20 0.45
▸ HTR3C Q8WXA8 1/20 0.45
▸ POLM Q9NP87 2/20 0.43
▸ POLK Q9UBT6 2/20 0.43
▸ POLL Q9UGP5 2/20 0.43

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
SCHEMBL27084761 1.00 HTR2A (0.70) HTR2AHTR1AHTR1BHTR2CHTR2B
SCHEMBL27085129 0.99 HTR2A (0.68) HTR2AHTR1AHTR1BHTR2CHTR2B
SCHEMBL25790828 0.92 HTR2A (0.59) HTR2AHTR1AHTR1BHTR2CHTR2B
SCHEMBL27085057 0.92 HTR2A (0.59) HTR2AHTR1AHTR1BHTR2CHTR2B
SCHEMBL27085099 0.91 HTR2A (0.58) HTR2AHTR1AHTR1BHTR2CHTR2B
Hydrochloric Acid SCHEMBL31634307 0.91 HTR2A (0.58) HTR2AHTR1AHTR1BHTR2CHTR2B
SCHEMBL27084904 0.91 HTR2A (0.58) HTR2AHTR1AHTR1BHTR2CHTR2B
SCHEMBL29832524 0.89 HTR2A (0.85) HTR2AHTR1AHTR1BHTR2CHTR2B
SCHEMBL29168439 0.89 HTR2A (0.85) HTR2AHTR1AHTR1BHTR2CHTR2B
SCHEMBL29832169 0.89 HTR2A (0.85) HTR2AHTR1AHTR1BHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4440573-A1 NOVEL AZA-SUBSTITUTED PSILOCIN ANALOGS AND METHODS OF SYNTHESIZING THE SAME Mydecine Innovations Group Inc. (US) 2024-10-09 — — EP disclosed
EP-4255422-A1 NOVEL PSILOCIN ANALOG COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME Mydecine Innovations Group Inc. (US) 2023-10-11 — — EP disclosed
WO-2023101722-A1 NOVEL AZA-SUBSTITUTED PSILOCIN ANALOGS AND METHODS OF SYNTHESIZING THE SAME MEDECINE INNOVATIONS GROUP INC. (US) 2023-06-08 — — WO disclosed
WO-2022120181-A1 NOVEL PSILOCIN ANALOG COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME MYDECINE INNOVATIONS GROUP INC. (US) 2022-06-09 — — WO disclosed
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