SCHEMBL29810052

SCHEMBL29810052

CCOc1ccc(-c2nc(-c3ccc(C[C@H](N)C(=O)O)cc3)no2)cc1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 17/20 0.80
▸ S1PR1 P21453 1/20 0.59
▸ S1PR5 Q9H228 1/20 0.59
▸ TP53 P04637 2/20 0.56
▸ MITF O75030 1/20 0.56
▸ NCOA3 Q9Y6Q9 1/20 0.56
▸ NPC1 O15118 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51

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 SCHEMBL29810180 0.99 TPH1 (0.80) TPH1S1PR1S1PR5TP53MITF
SCHEMBL20777159 0.89 TPH1 (1.00) TPH1S1PR1TP53NPC1RAB9A
SCHEMBL20777161 0.89 TPH1 (1.00) TPH1S1PR1TP53NPC1RAB9A
Hydrochloric Acid SCHEMBL22150732 0.88 TPH1 (1.00) TPH1S1PR1TP53NPC1RAB9A
Hydrochloric Acid SCHEMBL22150736 0.88 TPH1 (1.00) TPH1S1PR1TP53NPC1RAB9A
SCHEMBL29810083 0.87 TPH1 (0.73) TPH1
Hydrochloric Acid SCHEMBL29810128 0.86 TPH1 (0.74) TPH1
SCHEMBL29810085 0.85 TPH1 (0.78) TPH1S1PR1S1PR5
SCHEMBL20777117 0.85 TPH1 (0.81) TPH1
SCHEMBL20777116 0.85 TPH1 (0.81) TPH1

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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