SCHEMBL25791527

SCHEMBL25791527

CN(C)CCc1c[nH]c2cc(F)cc(OC(=O)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(=O)Oc3cc(F)cc4[nH]cc(CCN(C)C)c34)c12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.54
▸ HTR2A P28223 4/20 0.43
▸ HTR1D P28221 5/20 0.42
▸ HTR1B P28222 5/20 0.42
▸ HTR2C P28335 3/20 0.41
▸ HTR2B P41595 3/20 0.41
▸ HTR6 P50406 2/20 0.41
▸ HTR1F P30939 1/20 0.40
▸ MPO P05164 1/20 0.40
▸ DRD1 P21728 1/20 0.37
▸ HTR1E P28566 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HTR5A P47898 1/20 0.37

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
SCHEMBL25791525 0.82 HTR1A (0.42) HTR1AHTR2AHTR1DHTR1BHTR2C
SCHEMBL12559104 0.76 HTR1A (0.67) HTR1AHTR2AHTR1DHTR1BHTR2C
SCHEMBL25791529 0.76 HTR2A (0.39) HTR1AHTR2AHTR1DHTR1BHTR2C
SCHEMBL25103118 0.75 HTR2A (0.67) HTR1AHTR2AHTR1DHTR1BHTR2C
SCHEMBL25747597 0.71 HTR1A (1.00) HTR1AHTR2AHTR1DHTR1BHTR2C
SCHEMBL25748759 0.71 HTR1A (0.74) HTR1AHTR2AHTR1DHTR1BHTR2C
SCHEMBL25791365 0.69 MTNR1A (0.47) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL30954332 0.69 HTR2A (0.71) HTR1AHTR2AHTR1DHTR1BHTR2C
SCHEMBL1163811 0.69 HTR2A (0.71) HTR1AHTR2AHTR1DHTR1BHTR2C
SCHEMBL27219351 0.69 HTR6 (0.70) HTR1AHTR2AHTR1DHTR1BHTR2C

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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