SCHEMBL29810086

SCHEMBL29810086

N[C@@H](Cc1ccc(-c2noc(-c3ccc(I)cc3)n2)cc1)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 19/20 0.78
▸ S1PR4 O95977 1/20 0.47
▸ S1PR1 P21453 1/20 0.47
▸ S1PR3 Q99500 1/20 0.47
▸ S1PR5 Q9H228 1/20 0.47

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
Hydrochloric Acid SCHEMBL29810137 0.99 TPH1 (0.78) TPH1S1PR4S1PR1S1PR3S1PR5
SCHEMBL20777117 0.90 TPH1 (0.81) TPH1
SCHEMBL20777116 0.90 TPH1 (0.81) TPH1
Hydrochloric Acid SCHEMBL22150784 0.89 TPH1 (0.82) TPH1
SCHEMBL29810081 0.89 TPH1 (0.80) TPH1
SCHEMBL29810095 0.89 TPH1 (0.80) TPH1S1PR4S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL22150783 0.89 TPH1 (0.82) TPH1
SCHEMBL29810093 0.89 TPH1 (0.80) TPH1S1PR4S1PR1S1PR3S1PR5
SCHEMBL20777207 0.88 TPH1 (1.00) TPH1S1PR4S1PR1S1PR3S1PR5
SCHEMBL20777208 0.88 TPH1 (1.00) TPH1S1PR4S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022149925-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND USE THEREOF 광주과학기술원 2022-07-14 — — WO claimed
WO-2022149925-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND USE THEREOF 광주과학기술원 2022-07-14 — — WO disclosed
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