SCHEMBL25791529

SCHEMBL25791529

CN(C)CCc1c[nH]c2nccc(OC(=O)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(=O)Oc3ccnc4[nH]cc(CCN(C)C)c34)c12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.39
▸ HTR1D P28221 5/20 0.38
▸ HTR1B P28222 5/20 0.38
▸ HTR1A P08908 6/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ HTR6 P50406 3/20 0.36
▸ DRD1 P21728 1/20 0.35
▸ HTR1E P28566 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ HTR5A P47898 1/20 0.35
▸ HTR1F P30939 1/20 0.34

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
SCHEMBL25030239 0.82 HTR1D (0.49) HTR2AHTR1DHTR1BHTR1AHTR2C
SCHEMBL25030242 0.76 HTR1D (0.42) HTR2AHTR1DHTR1BHTR1AHTR2C
SCHEMBL25292886 0.76 HTR6 (0.59) HTR2AHTR1DHTR1BHTR1AHTR2C
SCHEMBL30565963 0.76 HTR6 (0.59) HTR2AHTR1DHTR1BHTR1AHTR2C
SCHEMBL30565961 0.76 HTR6 (0.59) HTR2AHTR1DHTR1BHTR1AHTR2C
SCHEMBL25791527 0.76 HTR1A (0.54) HTR2AHTR1DHTR1BHTR1AHTR2C
Hydrochloric Acid SCHEMBL25288264 0.75 HTR6 (0.58) HTR2AHTR1DHTR1BHTR1AHTR2C
Hydrochloric Acid SCHEMBL31211621 0.75 HTR6 (0.58) HTR2AHTR1DHTR1BHTR1AHTR2C
SCHEMBL25987681 0.74 HTR1D (0.38) HTR2AHTR1DHTR1BHTR1AHTR2C
SCHEMBL25791525 0.74 HTR1A (0.42) HTR2AHTR1DHTR1BHTR1AHTR2C

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
WO-2023122320-A1 POLYPODAL SEROTONERGIC COMPOUNDS AND PRODRUGS OF SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS KULEON LLC (US) 2023-06-29 — — WO disclosed
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