SCHEMBL29810059

SCHEMBL29810059

COc1ccc(-c2cc(-c3nc(-c4ccc(C[C@H](N)C(N)=O)cc4)no3)ccc2OC)cc1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 16/20 0.86
▸ KDM4E B2RXH2 4/20 0.55
▸ MAPT P10636 3/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49

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 SCHEMBL29810123 0.99 TPH1 (0.86) TPH1KDM4EMAPTMEN1KMT2A
SCHEMBL29810055 0.92 TPH1 (1.00) TPH1KDM4EMAPTMEN1KMT2A
SCHEMBL29810078 0.92 TPH1 (0.86) TPH1
Hydrochloric Acid SCHEMBL29810151 0.91 TPH1 (0.86) TPH1
Hydrochloric Acid SCHEMBL29810109 0.91 TPH1 (1.00) TPH1KDM4EMAPTMEN1KMT2A
SCHEMBL29810069 0.85 TPH1 (1.00) TPH1
SCHEMBL29810066 0.85 TPH1 (1.00) TPH1
Hydrochloric Acid SCHEMBL29810122 0.85 TPH1 (1.00) TPH1
Hydrochloric Acid SCHEMBL29810166 0.84 TPH1 (1.00) TPH1
SCHEMBL29810062 0.83 TPH1 (0.83) 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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