SCHEMBL29810083

SCHEMBL29810083

N[C@@H](Cc1ccc(-c2noc(-c3ccc(OCc4ccccc4)cc3)n2)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 16/20 0.73
▸ SMPD1 P17405 1/20 0.56
▸ PPARD Q03181 3/20 0.54
▸ PPARA Q07869 3/20 0.54
▸ PPARG P37231 1/20 0.52

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 SCHEMBL29810128 0.99 TPH1 (0.74) TPH1SMPD1PPARDPPARAPPARG
SCHEMBL20777116 0.88 TPH1 (0.81) TPH1
SCHEMBL20777117 0.88 TPH1 (0.81) TPH1
SCHEMBL29810052 0.87 TPH1 (0.80) TPH1
SCHEMBL29810105 0.87 TPH1 (0.76) TPH1
Hydrochloric Acid SCHEMBL22150783 0.86 TPH1 (0.82) TPH1
Hydrochloric Acid SCHEMBL22150784 0.86 TPH1 (0.82) TPH1
Hydrochloric Acid SCHEMBL29810180 0.86 TPH1 (0.80) TPH1
Hydrochloric Acid SCHEMBL29810124 0.85 TPH1 (0.77) TPH1
SCHEMBL22449244 0.85 PPARG (0.57) TPH1SMPD1PPARDPPARAPPARG

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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