SCHEMBL17892320

SCHEMBL17892320

CCC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 7/20 0.58
▸ ROCK2 O75116 1/20 0.52
▸ RPS6KA5 O75582 1/20 0.52
▸ RPS6KA4 O75676 1/20 0.52
▸ PRKACA P17612 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ GSK3A P49840 1/20 0.52
▸ GSK3B P49841 1/20 0.52
▸ IRAK1 P51617 1/20 0.52
▸ PRKX P51817 1/20 0.52
▸ ROCK1 Q13464 1/20 0.52
▸ PRKG1 Q13976 1/20 0.52
▸ PKN2 Q16513 1/20 0.52
▸ CLK4 Q9HAZ1 1/20 0.52
▸ SGK2 Q9HBY8 1/20 0.52
▸ MME P08473 4/20 0.52
▸ MMEL1 Q495T6 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CTSK P43235 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50

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
SCHEMBL17892264 0.85 NPC1 (0.64) TPH1L3MBTL1CTSKALPIPKM
SCHEMBL17892360 0.85 NPC1 (0.64) TPH1L3MBTL1CTSKALPIPKM
SCHEMBL12029124 0.80 CTRB1 (0.71) ROCK2RPS6KA5RPS6KA4PRKACAMAPK1
SCHEMBL414363 0.80 SLC7A5 (0.78) TPH1ALPIPKMPTGS1XIAP
SCHEMBL93495 0.80 SLC7A5 (0.78) TPH1ALPIPKMPTGS1XIAP
SCHEMBL180272 0.80 SLC7A5 (0.78) TPH1ALPIPKMPTGS1XIAP
SCHEMBL93494 0.80 SLC7A5 (0.78) TPH1ALPIPKMPTGS1XIAP
SCHEMBL1796036 0.80 SLC7A5 (0.78) TPH1ALPIPKMPTGS1XIAP
SCHEMBL8231752 0.80 EPHX2 (0.68) TPH1ROCK2RPS6KA5PRKACAMAPK1
SCHEMBL14381168 0.80 NR1H4 (0.64) TPH1ALPIPKMPTGS1XIAP

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-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 — — WO claimed
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