SCHEMBL25874897

SCHEMBL25874897

CC(=O)CCCCc1c[nH]c2cccc(O)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 10/20 0.64
▸ HTR2C P28335 7/20 0.64
▸ HTR2B P41595 6/20 0.64
▸ HTR1A P08908 2/20 0.59
▸ DRD1 P21728 1/20 0.59
▸ HTR1D P28221 1/20 0.59
▸ HTR1B P28222 1/20 0.59
▸ HTR1E P28566 1/20 0.59
▸ ADORA2A P29274 1/20 0.59
▸ ADORA2B P29275 1/20 0.59
▸ HTR7 P34969 1/20 0.59
▸ DRD3 P35462 1/20 0.59
▸ HTR5A P47898 1/20 0.59
▸ HTR6 P50406 1/20 0.59
▸ GAA P10253 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ MAPT P10636 1/20 0.58

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
SCHEMBL10344616 0.83 GPR84 (0.58) HTR2AHTR2CHTR2BHTR1ADRD1
SCHEMBL26965700 0.82 HTR2A (0.71) HTR2AHTR2CHTR2BHTR1ADRD1
SCHEMBL15323836 0.81 GAA (0.72) HTR2AHTR2CHTR2BHTR1ADRD1
SCHEMBL26965635 0.79 HTR2A (0.83) HTR2AHTR2CHTR2BHTR1ADRD1
SCHEMBL21333752 0.79 HTR2A (0.72) HTR2AHTR2CHTR2BHTR1ADRD1
SCHEMBL6619709 0.79 HTR2A (0.63) HTR2AHTR2CHTR2BHTR1ADRD1
SCHEMBL27134372 0.79 HTR2A (0.71) HTR2AHTR2CHTR2BHTR1ADRD1
SCHEMBL31742960 0.78 HTR2A (0.66) HTR2AHTR2CHTR2BHTR1ADRD1
SCHEMBL30681613 0.78 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1ADRD1
SCHEMBL8913458 0.78 HTR2A (0.68) HTR2AHTR2CHTR2BHTR1ADRD1

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-2023130076-A2 TARGETS AND PATHWAYS FOR THE PRODUCTION OF ALKALOIDAL COMPOUNDS Empyrean Neuroscience, Inc. (US) 2023-07-06 — — WO disclosed
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