SCHEMBL29810079

SCHEMBL29810079

COc1cccc(-c2nc(-c3ccc(C[C@H](N)C(=O)O)cc3)no2)c1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 16/20 0.78
▸ NPC1 O15118 2/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ TP53 P04637 1/20 0.63
▸ NFKB1 P19838 1/20 0.63
▸ NFKB2 Q00653 1/20 0.63
▸ RELA Q04206 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ CYP3A4 P08684 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61

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 SCHEMBL29810131 0.99 TPH1 (0.79) TPH1NPC1RAB9ATP53NFKB1
SCHEMBL29810098 0.93 TPH1 (0.84) TPH1NPC1RAB9ATP53NFKB1
SCHEMBL29810156 0.92 TPH1 (0.82) TPH1CYP3A4MAPTCYP2C19KMT2A
Hydrochloric Acid SCHEMBL29810114 0.92 TPH1 (0.85) TPH1NPC1RAB9ATP53NFKB1
Hydrochloric Acid SCHEMBL29810149 0.91 TPH1 (0.83) TPH1CYP3A4MAPTCYP2C19KMT2A
SCHEMBL20777159 0.88 TPH1 (1.00) TPH1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL20777161 0.88 TPH1 (1.00) TPH1NPC1RAB9ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL22150736 0.87 TPH1 (1.00) TPH1NPC1RAB9ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL22150732 0.87 TPH1 (1.00) TPH1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL29810056 0.86 TPH1 (0.73) TPH1NPC1RAB9ATP53SMN1; SMN2

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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