SCHEMBL7090612

SCHEMBL7090612

O=S(=O)(Nc1ccccc1)n1cc(CC2CCNCC2)c2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 11/20 0.41
▸ CCNE1 P24864 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ GBA1 P04062 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ SLC40A1 Q9NP59 1/20 0.35
▸ HTR4 Q13639 1/20 0.34

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
SCHEMBL5727247 0.84 HTR6 (0.58) HTR6CCNE1CDK2
SCHEMBL5725607 0.78 HTR6 (0.46) HTR6CCNE1CDK2
SCHEMBL5726272 0.77 HTR6 (0.51) HTR6CCNE1CDK2
SCHEMBL1772540 0.75 HTR6 (0.64) HTR6CCNE1CDK2
SCHEMBL5726320 0.73 HTR6 (0.38) HTR6CCNE1CDK2
SCHEMBL5726115 0.69 HTR6 (0.69) HTR6
Hydrochloric Acid SCHEMBL29047329 0.67 HTR6 (0.49) HTR6SLC6A4
SCHEMBL30040237 0.64 CYP2C19 (0.62) KDM4ESLC40A1
SCHEMBL5725645 0.63 HTR6 (0.57) HTR6
SCHEMBL5726304 0.63 HTR6 (0.72) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355900-A2 HETEROCYCLYLALKYLINDOLE OR -AZAINDOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2003-10-29 — — EP claimed
WO-2002051832-A2 HETEROCYCLYLALKYLINDOLE OR -AZAINDOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-07-04 — — WO claimed
EP-1355900-A2 HETEROCYCLYLALKYLINDOLE OR -AZAINDOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2003-10-29 — — EP disclosed
WO-2002051832-A2 HETEROCYCLYLALKYLINDOLE OR -AZAINDOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-07-04 — — WO disclosed
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