SCHEMBL8714246

SCHEMBL8714246

NCCc1cn(NCCc2c[nH]c3ccccc23)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ MPO P05164 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2A6 P11509 1/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ HTR1D P28221 1/20 0.61
▸ HTR1B P28222 1/20 0.61
▸ HTR2C P28335 1/20 0.61
▸ HTR7 P34969 1/20 0.61
▸ CTSK P43235 1/20 0.61
▸ HTR6 P50406 1/20 0.61
▸ CYP2A13 Q16696 1/20 0.61
▸ TAAR1 Q96RJ0 1/20 0.61
▸ PMP22 Q01453 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ HTT P42858 1/20 0.50

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
Tryptamine SCHEMBL14876914 0.80 HTR2A (0.64) HTR2ACYP1A2MPOCYP3A4CYP2D6
SCHEMBL3472 0.79 HTR2A (0.64) HTR2ACYP1A2MPOCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL798115 0.78 HTR2C (0.65) HTR2ACYP1A2CYP3A4CYP2D6HTR1D
Tryptamine SCHEMBL8714244 0.78 HTR2A (1.00) HTR2ACYP1A2MPOCYP3A4CYP2D6
Tryptamine SCHEMBL26725 0.78 HTR2A (1.00) HTR2ACYP1A2MPOCYP3A4CYP2D6
Tryptamine SCHEMBL29373222 0.78 HTR2A (1.00) HTR2ACYP1A2MPOCYP3A4CYP2D6
Tryptamine SCHEMBL4936407 0.77 HTR2A (0.96) HTR2ACYP1A2MPOCYP3A4CYP2D6
Tryptamine SCHEMBL9472063 0.77 HTR2A (0.96) HTR2ACYP1A2MPOCYP3A4CYP2D6
Tryptamine SCHEMBL22127053 0.77 HTR2A (0.96) HTR2ACYP1A2MPOCYP3A4CYP2D6
Tryptamine SCHEMBL274183 0.77 PMP22 (1.00) HTR2ACYP1A2MPOCYP3A4CYP2D6

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-2024058984-A2 METHODS AND USES OF MICROBIOME COMPOSITIONS, COMPONENTS, OR METABOLITES FOR TREATING INSULIN-ASSOCIATED DISEASES MarvelBiome, Inc. (US) 2024-03-21 — — WO disclosed
US-20240076711-A1 IDENTIFICATION OF MITOCHONDRIA-ENRICHED CELLS MINOVIA THERAPEUTICS LTD. (IL) 2024-03-07 — — US disclosed
US-5814520-A ISOLATED AND PURIFIED DNA FRAGMENT COMPRISING A SEQUENCE ENCODING A PLANT DECARBOXYLASE NATIONAL RESEARCH COUNCIL CANADA (CA) 1998-09-29 — — US disclosed
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