SCHEMBL20777161

SCHEMBL20777161

COc1ccc(-c2nc(-c3ccc(CC(N)C(=O)O)cc3)no2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 16/20 1.00
▸ S1PR1 P21453 1/20 0.59
▸ NR1H4 Q96RI1 1/20 0.59
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL20777159 1.00 TPH1 (1.00) TPH1S1PR1NR1H4NPC1RAB9A
Hydrochloric Acid SCHEMBL22150732 0.99 TPH1 (1.00) TPH1S1PR1NR1H4NPC1RAB9A
Hydrochloric Acid SCHEMBL22150736 0.99 TPH1 (1.00) TPH1S1PR1NR1H4NPC1RAB9A
SCHEMBL29810156 0.91 TPH1 (0.82) TPH1S1PR1NR1H4MAPTNPSR1
Hydrochloric Acid SCHEMBL29810149 0.90 TPH1 (0.83) TPH1S1PR1NR1H4MAPTNPSR1
SCHEMBL29810055 0.89 TPH1 (1.00) TPH1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL29810052 0.89 TPH1 (0.80) TPH1S1PR1NPC1RAB9ASMN1; SMN2
SCHEMBL29810064 0.88 TPH1 (0.79) TPH1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL29810079 0.88 TPH1 (0.78) TPH1NPC1RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL29810180 0.88 TPH1 (0.80) TPH1S1PR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019039905-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME 광주과학기술원 2019-02-28 — — WO disclosed
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